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

Systemtic Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C23H16N3O2S- MolecularWeight: 398.45704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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