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

Systemtic Name: 3-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanyl]propanoate Openeye Name: 3-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propanoate CAS Name: 3-[[5-oxido-6-(phenylmethyl)-1,2,4-triazin-3-yl]thio]propanoate IUPAC Name: 3-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]propanoate Traditional Name: 3-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)thio]propionate Formula: C13H11N3O3S-2 MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c17-11(18)6-7-20-13-14-12(19)10(15-16-13)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H,14,16,19)/p-2