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

Systemtic Name: 2-[(4-phenylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(4-phenylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(4-phenylphenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(4-phenylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(4-phenylbenzyl)thio]-3-(1H-1,2,4-triazol-5-yl)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=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=NN5

InChI

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