(4R)-5-oxidanylidene-4-(phenylmethyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-5-oxidanylidene-4-(phenylmethyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile Openeye Name: (4R)-4-benzyl-5-oxo-2-thioxo-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile CAS Name: (4R)-5-oxo-4-(phenylmethyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile IUPAC Name: (4R)-4-benzyl-5-oxo-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile Traditional Name: (4R)-4-benzyl-5-keto-2-thioxo-1,3,4,6,7,8-hexahydroquinoline-3-carbonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC2=C([C@@H](C(C(=S)N2)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/h1-3,5-6,12-13H,4,7-9H2,(H,19,21)/t12-,13?/m1/s1