methyl 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H20N6O3S MolecularWeight: 484.5297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)C5=CN=CC=C5

InChI

InChI=1S/C25H20N6O3S/c1-15-6-3-4-8-20(15)31-22(17-7-5-11-26-13-17)29-30-25(31)35-14-21-27-19-12-16(24(33)34-2)9-10-18(19)23(32)28-21/h3-13H,14H2,1-2H3,(H,27,28,32)