methyl 3-[[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

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