1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-thiazol-2-yl-pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(2-thiazolyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-thiazol-2-yl-pyrazole-4-carboxamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC=CS3)CCC#N)OC

InChI

InChI=1S/C18H17N5O3S/c1-25-14-5-4-12(10-15(14)26-2)16-13(11-23(22-16)8-3-6-19)17(24)21-18-20-7-9-27-18/h4-5,7,9-11H,3,8H2,1-2H3,(H,20,21,24)