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

Systemtic Name: 4-(4-nitrophenyl)-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-nitrophenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-nitrophenyl)-2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-nitrophenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H19N3O5S MolecularWeight: 497.52186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O5S/c28-14-21-25(16-9-11-18(12-10-16)30(33)34)19-6-2-3-7-22(19)29-26(21)36-15-23(31)20-13-17-5-1-4-8-24(17)35-27(20)32/h1,4-5,8-13H,2-3,6-7,15H2