2-METHYL-7-NITRO-1-THIA-4A,9-DIAZA-FLUOREN-4-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H7N3O3S
Molecular Weight	261.257
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-7-NITRO-1-THIA-4A,9-DIAZA-FLUOREN-4-ONE

Structure Search

SMILES

CC1=CC(=O)N2C(S1)=NC3=C2C=CC(=C3)[N+]([O-])=O

InChI

InChIKey=POWIWPDTQMHRHK-UHFFFAOYSA-N

InChI=1S/C11H7N3O3S/c1-6-4-10(15)13-9-3-2-7(14(16)17)5-8(9)12-11(13)18-6/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula	C11H7N3O3S
Molecular Weight	261.257
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 19:48:30 GMT 2025` Edited by `admin` on `Tue Apr 01 19:48:30 GMT 2025`
Record UNII	XTW72JW8DV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYL-7-NITRO-1-THIA-4A,9-DIAZA-FLUOREN-4-ONE

Systematic Name

English

NSC-297312

Preferred Name

English

Code System Code Type Description

NSC

297312

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

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PUBCHEM

326283

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

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CAS

64411-79-6

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

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EPA CompTox

DTXSID80214663

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

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FDA UNII

XTW72JW8DV

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

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