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4-[[6-(diphenylmethyl)oxy-2-methyl-5-oxidanylidene-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid

4-[[6-(diphenylmethyl)oxy-2-methyl-5-oxidanylidene-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name:4-[[6-(diphenylmethyl)oxy-2-methyl-5-oxidanylidene-1,2,4-triazin-3-yl]sulfanylmethyl]benzoic acid
Openeye Name:4-[(6-benzhydryloxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid
CAS Name:4-[[[6-(diphenylmethyl)oxy-2-methyl-5-oxo-1,2,4-triazin-3-yl]thio]methyl]benzoic acid
IUPAC Name:4-[(6-benzhydryloxy-2-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid
Traditional Name:4-[[(6-benzhydryloxy-5-keto-2-methyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid
Formula: C25H21N3O4S
MolecularWeight: 459.51694
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=O)C(=N1)OC(C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O


Isomeric SMILES

CN1C(=NC(=O)C(=N1)OC(C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O


InChI

InChI=1S/C25H21N3O4S/c1-28-25(33-16-17-12-14-20(15-13-17)24(30)31)26-22(29)23(27-28)32-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,30,31)


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