2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C23H17N5OS MolecularWeight: 411.47898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H17N5OS/c29-22-18-13-7-8-14-19(18)24-20(25-22)15-30-23-27-26-21(16-9-3-1-4-10-16)28(23)17-11-5-2-6-12-17/h1-14H,15H2,(H,24,25,29)