(3R,4S,4aS)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxidanylidene-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: (3R,4S,4aS)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxidanylidene-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: (3R,4S,4aS)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-thioxo-3,4,4a,6-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: (3R,4S,4aS)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: (3R,4S,4aS)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: (3R,4S,4aS)-5-keto-7,7-dimethyl-4-(4-nitrophenyl)-2-thioxo-3,4,4a,6-tetrahydro-1H-quinoline-3-carbonitrile Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(C(C(=S)NC2=C1)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)[C@H]2[C@@H]([C@@H](C(=S)NC2=C1)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O3S/c1-18(2)7-13-16(14(22)8-18)15(12(9-19)17(25)20-13)10-3-5-11(6-4-10)21(23)24/h3-7,12,15-16H,8H2,1-2H3,(H,20,25)/t12-,15+,16-/m0/s1