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

Systemtic Name: methyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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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)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4CC4

InChI

InChI=1S/C17H17N5O3S/c1-22-14(9-3-4-9)20-21-17(22)26-8-13-18-12-7-10(16(24)25-2)5-6-11(12)15(23)19-13/h5-7,9H,3-4,8H2,1-2H3,(H,18,19,23)