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

Systemtic Name: 4-[3-[(3-oxidanidyl-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(3-oxido-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(3-oxido-1,2,4-triazin-5-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(3-oxido-1,2,4-triazin-5-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(3-oxido-1,2,4-triazin-5-yl)thio]propoxy]benzoate Formula: C13H11N3O4S-2 MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=CN=NC(=N2)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=CN=NC(=N2)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-12(18)9-2-4-10(5-3-9)20-6-1-7-21-11-8-14-16-13(19)15-11/h2-5,8H,1,6-7H2,(H,17,18)(H,15,16,19)/p-2