(E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenyl-prop-2-enenitrile Openeye Name: (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenyl-prop-2-enenitrile CAS Name: (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(methylthio)-2-phenyl-2-propenenitrile IUPAC Name: (E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-2-phenylprop-2-enenitrile Traditional Name: (E)-3-(homoveratrylamino)-3-(methylthio)-2-phenyl-acrylonitrile Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=C(C#N)C2=CC=CC=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN/C(=C(\C#N)/C2=CC=CC=C2)/SC)OC

InChI

InChI=1S/C20H22N2O2S/c1-23-18-10-9-15(13-19(18)24-2)11-12-22-20(25-3)17(14-21)16-7-5-4-6-8-16/h4-10,13,22H,11-12H2,1-3H3/b20-17-