2-cyano-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(p-tolyl)pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(p-tolyl)pyrazol-4-yl]thioacrylamide Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)CCC#N

InChI

InChI=1S/C17H15N5S/c1-12-3-5-13(6-4-12)16-15(9-14(10-19)17(20)23)11-22(21-16)8-2-7-18/h3-6,9,11H,2,8H2,1H3,(H2,20,23)