2-cyano-N-(4-methylphenyl)-3,3-bis(phenacylsulfanyl)prop-2-enamide

Systemtic Name: 2-cyano-N-(4-methylphenyl)-3,3-bis(phenacylsulfanyl)prop-2-enamide Openeye Name: 2-cyano-3,3-bis(phenacylsulfanyl)-N-(p-tolyl)prop-2-enamide CAS Name: 2-cyano-N-(4-methylphenyl)-3,3-bis(phenacylthio)-2-propenamide IUPAC Name: 2-cyano-N-(4-methylphenyl)-3,3-bis(phenacylsulfanyl)prop-2-enamide Traditional Name: 2-cyano-3,3-bis(phenacylthio)-N-(p-tolyl)acrylamide Formula: C27H22N2O3S2 MolecularWeight: 486.60518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=C(SCC(=O)C2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=C(SCC(=O)C2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H22N2O3S2/c1-19-12-14-22(15-13-19)29-26(32)23(16-28)27(33-17-24(30)20-8-4-2-5-9-20)34-18-25(31)21-10-6-3-7-11-21/h2-15H,17-18H2,1H3,(H,29,32)