2-(phenylmethylsulfanyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 2-(phenylmethylsulfanyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 2-benzylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 2-(phenylmethylthio)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 2-benzylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-(benzylthio)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C16H14N4OS MolecularWeight: 310.37356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=NC(=NN3C=C2C(=O)C1)SCC4=CC=CC=C4

Isomeric SMILES

C1CC2=NC3=NC(=NN3C=C2C(=O)C1)SCC4=CC=CC=C4

InChI

InChI=1S/C16H14N4OS/c21-14-8-4-7-13-12(14)9-20-15(17-13)18-16(19-20)22-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2