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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H15N5OS/c1-12-6-2-5-9-15(12)23-11-19-22-18(23)25-10-16-20-14-8-4-3-7-13(14)17(24)21-16/h2-9,11H,10H2,1H3,(H,20,21,24)