4-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-oxo-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-keto-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]thio]methyl]benzoic acid Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O3S/c1-11-2-6-13(7-3-11)15-16(22)19-18(21-20-15)25-10-12-4-8-14(9-5-12)17(23)24/h2-9H,10H2,1H3,(H,23,24)(H,19,21,22)