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

Systemtic Name: 4-azanyl-3-(4-methoxyphenyl)-5-oxidanylidene-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole Openeye Name: 4-amino-3-(4-methoxyphenyl)-5-oxo-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole CAS Name: 4-amino-3-(4-methoxyphenyl)-5-oxo-1-[2-(sulfonatothio)ethyl]-1,2,4-triazole IUPAC Name: 4-amino-3-(4-methoxyphenyl)-5-oxo-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole Traditional Name: 4-amino-5-keto-3-(4-methoxyphenyl)-1-[2-(sulfonatothio)ethyl]-1,2,4-triazole Formula: C11H13N4O5S2- MolecularWeight: 345.37472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)N2N)CCSS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)N2N)CCSS(=O)(=O)[O-]

InChI

InChI=1S/C11H14N4O5S2/c1-20-9-4-2-8(3-5-9)10-13-14(11(16)15(10)12)6-7-21-22(17,18)19/h2-5H,6-7,12H2,1H3,(H,17,18,19)/p-1