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

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O2S/c27-22(28)19-13-11-16(12-14-19)15-29-23-24-20(17-7-3-1-4-8-17)21(25-26-23)18-9-5-2-6-10-18/h1-14H,15H2,(H,27,28)