2-[2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(3,4-dimethoxyphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(3,4-dimethoxybenzoyl)phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(3,4-dimethoxybenzoyl)phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-(2-amino-3-veratroyl-phenyl)-2-(methylthio)acetonitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-22-14-8-7-11(9-15(14)23-2)18(21)13-6-4-5-12(17(13)20)16(10-19)24-3/h4-9,16H,20H2,1-3H3