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

Systemtic Name: methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H12F3N5O3S MolecularWeight: 399.34769

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C15H12F3N5O3S/c1-23-13(15(16,17)18)21-22-14(23)27-6-10-19-9-5-7(12(25)26-2)3-4-8(9)11(24)20-10/h3-5H,6H2,1-2H3,(H,19,20,24)