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

Systemtic Name: 3-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-oxo-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[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=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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