3-chloranyl-N-[3-cyano-4-(2-methylphenyl)sulfanyl-phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[3-cyano-4-(2-methylphenyl)sulfanyl-phenyl]benzamide Openeye Name: 3-chloro-N-[3-cyano-4-(o-tolylsulfanyl)phenyl]benzamide CAS Name: 3-chloro-N-[3-cyano-4-[(2-methylphenyl)thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-cyano-4-(2-methylphenyl)sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[3-cyano-4-(o-tolylthio)phenyl]benzamide Formula: C21H15ClN2OS MolecularWeight: 378.8746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C21H15ClN2OS/c1-14-5-2-3-8-19(14)26-20-10-9-18(12-16(20)13-23)24-21(25)15-6-4-7-17(22)11-15/h2-12H,1H3,(H,24,25)