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

Systemtic Name: 6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-22(2,3)17-6-9-19-15(11-17)10-16(12-23)21(24-19)29-13-20(26)14-4-7-18(8-5-14)25(27)28/h4-5,7-8,10,17H,6,9,11,13H2,1-3H3