(E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enethioamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-3-(o-tolylsulfanylmethyl)phenyl]prop-2-enethioamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-[[(2-methylphenyl)thio]methyl]phenyl]-2-propenethioamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enethioamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(o-tolylthio)methyl]phenyl]thioacrylamide Formula: C20H20N2S2 MolecularWeight: 352.5162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C=C(C#N)C(=S)N)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)/C=C(\C#N)/C(=S)N)C

InChI

InChI=1S/C20H20N2S2/c1-13-8-16(10-17(11-21)20(22)23)15(3)18(9-13)12-24-19-7-5-4-6-14(19)2/h4-10H,12H2,1-3H3,(H2,22,23)/b17-10+