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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

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