5-oxidanylidene-4-(phenylmethyl)-2-sulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 5-oxidanylidene-4-(phenylmethyl)-2-sulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 4-benzyl-5-oxo-2-sulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-mercapto-5-oxo-4-(phenylmethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 4-benzyl-5-oxo-2-sulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 4-benzyl-5-keto-2-mercapto-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2)S)C#N)CC3=CC=CC=C3)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2)S)C#N)CC3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C17H16N2OS/c18-10-13-12(9-11-5-2-1-3-6-11)16-14(19-17(13)21)7-4-8-15(16)20/h1-3,5-6,12,19,21H,4,7-9H2