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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 2-[(2-chlorophenyl)methylthio]-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-[(2-chlorobenzyl)thio]-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4Cl)C5=CC=CC=C5[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4Cl)C5=CC=CC=C5[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C22H18ClN5O3S/c23-15-8-3-1-6-13(15)12-32-22-25-21-24-16-9-5-11-18(29)19(16)20(27(21)26-22)14-7-2-4-10-17(14)28(30)31/h1-4,6-8,10,20H,5,9,11-12H2,(H,24,25,26)