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

Systemtic Name: 4-[3-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]propoxy]benzoate Formula: C13H13N4O4S- MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=CC(=O)N2N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NN=CC(=O)N2N

InChI

InChI=1S/C13H14N4O4S/c14-17-11(18)8-15-16-13(17)22-7-1-6-21-10-4-2-9(3-5-10)12(19)20/h2-5,8H,1,6-7,14H2,(H,19,20)/p-1