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

Systemtic Name: methyl 5-[[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C17H13N5O4S/c1-25-15(24)13-7-6-10(26-13)8-27-17-20-12-5-3-2-4-11(12)14(23)22(17)16-18-9-19-21-16/h2-7,9H,8H2,1H3,(H,18,19,21)