2-[2-azanyl-3-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(3,4,5-trimethoxybenzoyl)phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(3,4,5-trimethoxybenzoyl)phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(3,4,5-trimethoxybenzoyl)phenyl]-2-(methylthio)acetonitrile Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C(=CC=C2)C(C#N)SC)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C(=CC=C2)C(C#N)SC)N

InChI

InChI=1S/C19H20N2O4S/c1-23-14-8-11(9-15(24-2)19(14)25-3)18(22)13-7-5-6-12(17(13)21)16(10-20)26-4/h5-9,16H,21H2,1-4H3