N-[(Z,3S)-3-(2-chlorophenyl)-2-cyano-1-methylsulfanyl-5-oxidanylidene-5-phenyl-pent-1-enyl]benzamide

Systemtic Name: N-[(Z,3S)-3-(2-chlorophenyl)-2-cyano-1-methylsulfanyl-5-oxidanylidene-5-phenyl-pent-1-enyl]benzamide Openeye Name: N-[(Z,3S)-3-(2-chlorophenyl)-2-cyano-1-methylsulfanyl-5-oxo-5-phenyl-pent-1-enyl]benzamide CAS Name: N-[(Z,3S)-3-(2-chlorophenyl)-2-cyano-1-(methylthio)-5-oxo-5-phenylpent-1-enyl]benzamide IUPAC Name: N-[(Z,3S)-3-(2-chlorophenyl)-2-cyano-1-methylsulfanyl-5-oxo-5-phenylpent-1-enyl]benzamide Traditional Name: N-[(Z,3S)-3-(2-chlorophenyl)-2-cyano-5-keto-1-(methylthio)-5-phenyl-pent-1-enyl]benzamide Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CS/C(=C(\C#N)/[C@H](CC(=O)C1=CC=CC=C1)C2=CC=CC=C2Cl)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H21ClN2O2S/c1-32-26(29-25(31)19-12-6-3-7-13-19)22(17-28)21(20-14-8-9-15-23(20)27)16-24(30)18-10-4-2-5-11-18/h2-15,21H,16H2,1H3,(H,29,31)/b26-22+/t21-/m1/s1