3,3-bis[(3-chlorophenyl)methylsulfanyl]-2-cyano-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: 3,3-bis[(3-chlorophenyl)methylsulfanyl]-2-cyano-N-(4-methylphenyl)prop-2-enamide Openeye Name: 3,3-bis[(3-chlorophenyl)methylsulfanyl]-2-cyano-N-(p-tolyl)prop-2-enamide CAS Name: 3,3-bis[(3-chlorophenyl)methylthio]-2-cyano-N-(4-methylphenyl)-2-propenamide IUPAC Name: 3,3-bis[(3-chlorophenyl)methylsulfanyl]-2-cyano-N-(4-methylphenyl)prop-2-enamide Traditional Name: 3,3-bis[(3-chlorobenzyl)thio]-2-cyano-N-(p-tolyl)acrylamide Formula: C25H20Cl2N2OS2 MolecularWeight: 499.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=C(SCC2=CC(=CC=C2)Cl)SCC3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=C(SCC2=CC(=CC=C2)Cl)SCC3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C25H20Cl2N2OS2/c1-17-8-10-22(11-9-17)29-24(30)23(14-28)25(31-15-18-4-2-6-20(26)12-18)32-16-19-5-3-7-21(27)13-19/h2-13H,15-16H2,1H3,(H,29,30)