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

Systemtic Name: 2-[[6-(3,4-dimethylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate IUPAC Name: 2-[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate Formula: C19H15N3O3S-2 MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=CC=C3C(=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=CC=C3C(=O)[O-])[O-])C

InChI

InChI=1S/C19H17N3O3S/c1-11-7-8-13(9-12(11)2)16-17(23)20-19(22-21-16)26-10-14-5-3-4-6-15(14)18(24)25/h3-9H,10H2,1-2H3,(H,24,25)(H,20,22,23)/p-2