4-[3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-amino-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C12H13N4O3S- MolecularWeight: 293.32162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=CN2N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=CN2N

InChI

InChI=1S/C12H14N4O3S/c13-16-8-14-15-12(16)20-7-1-6-19-10-4-2-9(3-5-10)11(17)18/h2-5,8H,1,6-7,13H2,(H,17,18)/p-1