2-(METHYLTHIO)-4-(1-PYRROLIDINYL)-3H-1,5-BENZODIAZEPINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17N3S
Molecular Weight	259.37
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(METHYLTHIO)-4-(1-PYRROLIDINYL)-3H-1,5-BENZODIAZEPINE

Structure Search

SMILES

CSC1=NC2=CC=CC=C2N=C(C1)N3CCCC3

InChI

InChIKey=IVMCVGIHPGDYRC-UHFFFAOYSA-N

InChI=1S/C14H17N3S/c1-18-14-10-13(17-8-4-5-9-17)15-11-6-2-3-7-12(11)16-14/h2-3,6-7H,4-5,8-10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H17N3S
Molecular Weight	259.37
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:02:53 GMT 2025` Edited by `admin` on `Tue Apr 01 20:02:53 GMT 2025`
Record UNII	NP4UB2GX55
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-334664

Preferred Name

English

2-(METHYLTHIO)-4-(1-PYRROLIDINYL)-3H-1,5-BENZODIAZEPINE

Systematic Name

English

3H-1,5-BENZODIAZEPINE, 2-(METHYLTHIO)-4-(1-PYRROLIDINYL)-

Systematic Name

English

Code System Code Type Description

CAS

69540-76-7

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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NSC

334664

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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PUBCHEM

333480

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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EPA CompTox

DTXSID40989522

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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FDA UNII

NP4UB2GX55

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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