2-(phenylmethylsulfanyl)-9-(1H-pyrrol-3-yl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 2-(phenylmethylsulfanyl)-9-(1H-pyrrol-3-yl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 2-benzylsulfanyl-9-(1H-pyrrol-3-yl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 2-(phenylmethylthio)-9-(1H-pyrrol-3-yl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 2-benzylsulfanyl-9-(1H-pyrrol-3-yl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-(benzylthio)-9-(1H-pyrrol-3-yl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CNC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CNC=C5)C(=O)C1

InChI

InChI=1S/C20H19N5OS/c26-16-8-4-7-15-17(16)18(14-9-10-21-11-14)25-19(22-15)23-20(24-25)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21H,4,7-8,12H2,(H,22,23,24)