2-[(4-nitrophenyl)methylsulfanyl]-9-(2-phenylethenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-9-(2-phenylethenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-9-styryl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 2-[(4-nitrophenyl)methylthio]-9-(2-phenylethenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-9-(2-phenylethenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-[(4-nitrobenzyl)thio]-9-styryl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C=CC5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C=CC5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C24H21N5O3S/c30-21-8-4-7-19-22(21)20(14-11-16-5-2-1-3-6-16)28-23(25-19)26-24(27-28)33-15-17-9-12-18(13-10-17)29(31)32/h1-3,5-6,9-14,20H,4,7-8,15H2,(H,25,26,27)