2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-2-[[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C19H15N5O4S/c1-28-13-4-2-3-12(8-13)24-10-20-23-19(24)29-9-16-21-15-7-11(18(26)27)5-6-14(15)17(25)22-16/h2-8,10H,9H2,1H3,(H,26,27)(H,21,22,25)