4-[2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[[2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]quinazolin-3-yl]benzonitrile Formula: C26H19N5O4S MolecularWeight: 497.52516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H19N5O4S/c27-15-17-7-9-19(10-8-17)30-25(33)21-5-1-2-6-22(21)28-26(30)36-16-24(32)29-13-3-4-18-14-20(31(34)35)11-12-23(18)29/h1-2,5-12,14H,3-4,13,16H2