6,7-dimethoxy-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-11-4-6-12(7-5-11)18-23-20(25-24-18)29-10-17-21-14-9-16(28-3)15(27-2)8-13(14)19(26)22-17/h4-9H,10H2,1-3H3,(H,21,22,26)(H,23,24,25)