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

Systemtic Name: methyl 4-oxidanylidene-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O3S/c1-27-18(26)12-7-8-13-14(9-12)20-15(21-17(13)25)10-28-19-22-16(23-24-19)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21,25)(H,22,23,24)