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

Systemtic Name: 4-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[5-oxido-6-(phenylmethyl)-1,2,4-triazin-3-yl]thio]methyl]benzoate IUPAC Name: 4-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C18H13N3O3S-2 MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C18H15N3O3S/c22-16-15(10-12-4-2-1-3-5-12)20-21-18(19-16)25-11-13-6-8-14(9-7-13)17(23)24/h1-9H,10-11H2,(H,23,24)(H,19,21,22)/p-2