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

Systemtic Name: 4-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3S/c21-15-14(12-4-2-1-3-5-12)19-20-17(18-15)24-10-11-6-8-13(9-7-11)16(22)23/h1-9H,10H2,(H,22,23)(H,18,20,21)