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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile; ethanol Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(2-thienyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile; ethanol CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile; ethanol IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile; ethanol Traditional Name: ethanol; 2-[(2-keto-3,3-dimethyl-butyl)thio]-4-(2-thienyl)-1-pyrindan-3-carbonitrile Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CCO.CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C19H20N2OS2.C2H6O/c1-19(2,3)16(22)11-24-18-13(10-20)17(15-8-5-9-23-15)12-6-4-7-14(12)21-18;1-2-3/h5,8-9H,4,6-7,11H2,1-3H3;3H,2H2,1H3