4-azanyl-5-oxidanylidene-3-propyl-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole

Systemtic Name: 4-azanyl-5-oxidanylidene-3-propyl-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole Openeye Name: 4-amino-5-oxo-3-propyl-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole CAS Name: 4-amino-5-oxo-3-propyl-1-[2-(sulfonatothio)ethyl]-1,2,4-triazole IUPAC Name: 4-amino-5-oxo-3-propyl-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole Traditional Name: 4-amino-5-keto-3-propyl-1-[2-(sulfonatothio)ethyl]-1,2,4-triazole Formula: C7H13N4O4S2- MolecularWeight: 281.33252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)N1N)CCSS(=O)(=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)N1N)CCSS(=O)(=O)[O-]

InChI

InChI=1S/C7H14N4O4S2/c1-2-3-6-9-10(7(12)11(6)8)4-5-16-17(13,14)15/h2-5,8H2,1H3,(H,13,14,15)/p-1