3-(2-chlorophenyl)-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]prop-2-enamide

Systemtic Name: 3-(2-chlorophenyl)-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]prop-2-enamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(2-chlorophenyl)prop-2-enamide CAS Name: 3-(2-chlorophenyl)-N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-propenamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-(2-chlorophenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3-(2-chlorophenyl)acrylamide Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H15ClN4OS/c21-17-9-5-4-8-15(17)10-11-18(26)23-19-16(12-22)20(25-24-19)27-13-14-6-2-1-3-7-14/h1-11H,13H2,(H2,23,24,25,26)