2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-(4-oxo-4-phenyl-butyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[(4-oxo-4-phenylbutyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(4-oxo-4-phenylbutyl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS/c22-15-18-14-17-10-5-2-6-11-19(17)23-21(18)25-13-7-12-20(24)16-8-3-1-4-9-16/h1,3-4,8-9,14H,2,5-7,10-13H2