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

Systemtic Name: 4-[3-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[5-oxido-6-(phenylmethyl)-1,2,4-triazin-3-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)thio]propoxy]benzoate Formula: C20H17N3O4S-2 MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C20H19N3O4S/c24-18-17(13-14-5-2-1-3-6-14)22-23-20(21-18)28-12-4-11-27-16-9-7-15(8-10-16)19(25)26/h1-3,5-10H,4,11-13H2,(H,25,26)(H,21,23,24)/p-2