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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)C(C3=NC(=O)C4=CC=CC=C4N3)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)C(C3=NC(=O)C4=CC=CC=C4N3)S

InChI

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