2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-methyl-phenyl]-2-methylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-methyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(4-bromobenzoyl)-5-methyl-phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]-5-methylphenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(4-bromobenzoyl)-5-methylphenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(4-bromobenzoyl)-5-methyl-phenyl]-2-(methylthio)acetonitrile Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2OS/c1-10-7-13(15(9-19)22-2)16(20)14(8-10)17(21)11-3-5-12(18)6-4-11/h3-8,15H,20H2,1-2H3