2-[[5-oxidanidyl-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 2-[[5-oxidanidyl-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[6-(3-isopropoxy-3-oxo-propyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[5-oxido-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-3-yl]thio]methyl]benzoate IUPAC Name: 2-[[5-oxido-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[6-(3-isopropoxy-3-keto-propyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate Formula: C17H17N3O5S-2 MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC2=CC=CC=C2C(=O)[O-])[O-]

Isomeric SMILES

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC2=CC=CC=C2C(=O)[O-])[O-]

InChI

InChI=1S/C17H19N3O5S/c1-10(2)25-14(21)8-7-13-15(22)18-17(20-19-13)26-9-11-5-3-4-6-12(11)16(23)24/h3-6,10H,7-9H2,1-2H3,(H,23,24)(H,18,20,22)/p-2