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

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-phenylphenyl)-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]thioacrylamide Formula: C22H17N5S MolecularWeight: 383.46888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C(=S)N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C(=S)N)CCC#N

InChI

InChI=1S/C22H17N5S/c23-11-4-12-27-15-20(13-19(14-24)22(25)28)21(26-27)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-10,13,15H,4,12H2,(H2,25,28)