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

Systemtic Name: 6,7-dimethoxy-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C

InChI

InChI=1S/C21H21N5O3S/c1-12-7-5-6-8-16(12)26-13(2)24-25-21(26)30-11-19-22-15-10-18(29-4)17(28-3)9-14(15)20(27)23-19/h5-10H,11H2,1-4H3,(H,22,23,27)