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

Systemtic Name: 2-[2-azanyl-3-(4-methoxyphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(4-methoxybenzoyl)phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(4-methoxyphenyl)-oxomethyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(4-methoxybenzoyl)phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-(2-amino-3-p-anisoyl-phenyl)-2-(methylthio)acetonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-21-12-8-6-11(7-9-12)17(20)14-5-3-4-13(16(14)19)15(10-18)22-2/h3-9,15H,19H2,1-2H3