2-[2-azanyl-5-chloranyl-3-(4-methylphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-5-chloranyl-3-(4-methylphenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-5-chloro-3-(4-methylbenzoyl)phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-5-chloro-3-[(4-methylphenyl)-oxomethyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-5-chloro-3-(4-methylbenzoyl)phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-(2-amino-5-chloro-3-p-toluoyl-phenyl)-2-(methylthio)acetonitrile Formula: C17H15ClN2OS MolecularWeight: 330.8318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)C(C#N)SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)C(C#N)SC)Cl

InChI

InChI=1S/C17H15ClN2OS/c1-10-3-5-11(6-4-10)17(21)14-8-12(18)7-13(16(14)20)15(9-19)22-2/h3-8,15H,20H2,1-2H3