7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-mercapto-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 5-keto-2-mercapto-7,7-dimethyl-4-(2-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C18H17N3O3S/c1-18(2)7-12-16(14(22)8-18)15(11(9-19)17(25)20-12)10-5-3-4-6-13(10)21(23)24/h3-6,15,20,25H,7-8H2,1-2H3