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

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

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

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