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

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5OS/c1-12-6-5-7-13(10-12)17-22-23-19(24(17)2)26-11-16-20-15-9-4-3-8-14(15)18(25)21-16/h3-10H,11H2,1-2H3,(H,20,21,25)