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

Systemtic Name: methyl 4-oxidanylidene-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H17N5O3S/c1-9(2)21-8-17-20-16(21)25-7-13-18-12-6-10(15(23)24-3)4-5-11(12)14(22)19-13/h4-6,8-9H,7H2,1-3H3,(H,18,19,22)