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

Systemtic Name: methyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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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)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-25-17(12-6-4-3-5-7-12)23-24-20(25)29-11-16-21-15-10-13(19(27)28-2)8-9-14(15)18(26)22-16/h3-10H,11H2,1-2H3,(H,21,22,26)