6-(2-methylbutan-2-yl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-(2-methylbutan-2-yl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-(1,1-dimethylpropyl)-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-(2-methylbutan-2-yl)-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-(2-methylbutan-2-yl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-amyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H25N3O3S/c1-4-23(2,3)18-7-10-20-16(12-18)11-17(13-24)22(25-20)30-14-21(27)15-5-8-19(9-6-15)26(28)29/h5-6,8-9,11,18H,4,7,10,12,14H2,1-3H3