2-[2-azanyl-5-methoxy-3-(phenylcarbonyl)phenyl]-2-methylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-5-methoxy-3-(phenylcarbonyl)phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-(2-amino-3-benzoyl-5-methoxy-phenyl)-2-methylsulfanyl-acetonitrile CAS Name: 2-(2-amino-3-benzoyl-5-methoxyphenyl)-2-(methylthio)acetonitrile IUPAC Name: 2-(2-amino-3-benzoyl-5-methoxyphenyl)-2-methylsulfanylacetonitrile Traditional Name: 2-(2-amino-3-benzoyl-5-methoxy-phenyl)-2-(methylthio)acetonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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