7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 7,7-dimethyl-5-oxo-4-(3-pyridyl)-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-mercapto-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 7,7-dimethyl-5-oxo-4-pyridin-3-yl-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 5-keto-2-mercapto-7,7-dimethyl-4-(3-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CN=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CN=CC=C3)C(=O)C1)C

InChI

InChI=1S/C17H17N3OS/c1-17(2)6-12-15(13(21)7-17)14(10-4-3-5-19-9-10)11(8-18)16(22)20-12/h3-5,9,14,20,22H,6-7H2,1-2H3