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

Systemtic Name: 2-[2-azanyl-3-(2,4-dichlorophenyl)carbonyl-5-methyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(2,4-dichlorobenzoyl)-5-methyl-phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(2,4-dichlorophenyl)-oxomethyl]-5-methylphenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(2,4-dichlorobenzoyl)-5-methylphenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(2,4-dichlorobenzoyl)-5-methyl-phenyl]-2-(methylthio)acetonitrile Formula: C17H14Cl2N2OS MolecularWeight: 365.27686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2OS/c1-9-5-12(15(8-20)23-2)16(21)13(6-9)17(22)11-4-3-10(18)7-14(11)19/h3-7,15H,21H2,1-2H3