(E)-2-cyano-3-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enethioamide Openeye Name: (E)-3-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enethioamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-2-propenethioamide IUPAC Name: (E)-3-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-2-cyano-thioacrylamide Formula: C20H20N2S2 MolecularWeight: 352.5162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=S)N)C)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=S)N)C)CSCC2=CC=CC=C2

InChI

InChI=1S/C20H20N2S2/c1-14-8-17(10-18(11-21)20(22)23)15(2)19(9-14)13-24-12-16-6-4-3-5-7-16/h3-10H,12-13H2,1-2H3,(H2,22,23)/b18-10+