2-(2-methanoyl-4-nitro-phenyl)sulfanyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(2-methanoyl-4-nitro-phenyl)sulfanyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-(1,1-dimethylpropyl)-2-(2-formyl-4-nitro-phenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-formyl-4-nitrophenyl)thio]-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2-formyl-4-nitrophenyl)sulfanyl-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-amyl-2-[(2-formyl-4-nitro-phenyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C#N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C#N

InChI

InChI=1S/C22H23N3O3S/c1-4-22(2,3)17-5-7-19-14(10-17)9-15(12-23)21(24-19)29-20-8-6-18(25(27)28)11-16(20)13-26/h6,8-9,11,13,17H,4-5,7,10H2,1-3H3