p-[4-[(3-Ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H19N3O5S
Molecular Weight	425.458
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of p-[4-[(3-Ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Structure Search

SMILES

CCN1C(OC2=CC=CC=C12)=CC=C3C(=O)N(N=C3C)C4=CC=C(C=C4)S(O)(=O)=O

InChI

InChIKey=ZHDYUNFDUDYQNL-CKDUKDRZSA-N

InChI=1S/C21H19N3O5S/c1-3-23-18-6-4-5-7-19(18)29-20(23)13-12-17-14(2)22-24(21(17)25)15-8-10-16(11-9-15)30(26,27)28/h4-13H,3H2,1-2H3,(H,26,27,28)/b17-12+,20-13-

HIDE SMILES / InChI

Molecular Formula	C21H19N3O5S
Molecular Weight	425.458
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:38:16 GMT 2025` Edited by `admin` on `Tue Apr 01 18:38:16 GMT 2025`
Record UNII	3YHG7WD99W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

p-[4-[(3-Ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Systematic Name

English

BENZENESULFONIC ACID, 4-(4-((3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)ETHYLIDENE)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-

Preferred Name

English

4-[4-[2-(3-Ethyl-2(3H)-benzoxazolylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, p-[4-[2-(3-ethyl-2-benzoxazolinylidene)ethylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]-

Systematic Name

English

Code System Code Type Description

CAS

27583-41-1