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

Systemtic Name: 4-[3-[(5-oxidanidyl-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-oxido-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(5-oxido-1,2,4-triazin-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(5-oxido-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-oxido-1,2,4-triazin-3-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=NC(=CN=N2)[O-]

Isomeric SMILES

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

InChI

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