Ethyl 4-[[[[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino]thioxomethyl]amino]benzoate

CAS Registry Number®

957500-09-3

CAS Name

Ethyl 4-[[[[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino]thioxomethyl]amino]benzoate

Molecular Formula

C17H22N4O2S

Molecular Mass

346.45

Cite this Page

Ethyl 4-[[[[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino]thioxomethyl]amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=957500-09-3 (retrieved 2025-01-13) (CAS RN: 957500-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22N4O2S/c1-5-23-16(22)13-6-8-14(9-7-13)19-17(24)18-11(2)15-10-21(4)20-12(15)3/h6-11H,5H2,1-4H3,(H2,18,19,24)

InChIKey

InChIKey=ORRUMSHEZKWEDN-UHFFFAOYSA-N

SMILES

C(NC(NC1=CC=C(C(OCC)=O)C=C1)=S)(C)C2=CN(C)N=C2C

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1)NC(=S)NC(C2=CN(N=C2C)C)C

Other Names for this Substance

  • Benzoic acid, 4-[[[[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino]thioxomethyl]amino]-, ethyl ester
  • Ethyl 4-[[[[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]amino]thioxomethyl]amino]benzoate

CAS INSIGHTSTM
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