2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C19H18N6OS/c1-11-6-8-13(9-7-11)17-23-24-19(25(17)20)27-10-15-21-16-12(2)4-3-5-14(16)18(26)22-15/h3-9H,10,20H2,1-2H3,(H,21,22,26)