4-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-1-pyrindan-3-carbonitrile Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2OS/c1-21(2,3)18(25)12-26-20-16(11-23)19(13-7-9-14(22)10-8-13)15-5-4-6-17(15)24-20/h7-10H,4-6,12H2,1-3H3