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

Systemtic Name: 4-azanyl-3-(4-chlorophenyl)-5-oxidanylidene-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole Openeye Name: 4-amino-3-(4-chlorophenyl)-5-oxo-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole CAS Name: 4-amino-3-(4-chlorophenyl)-5-oxo-1-[2-(sulfonatothio)ethyl]-1,2,4-triazole IUPAC Name: 4-amino-3-(4-chlorophenyl)-5-oxo-1-(2-sulfonatosulfanylethyl)-1,2,4-triazole Traditional Name: 4-amino-3-(4-chlorophenyl)-5-keto-1-[2-(sulfonatothio)ethyl]-1,2,4-triazole Formula: C10H10ClN4O4S2- MolecularWeight: 349.7938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)N2N)CCSS(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)N2N)CCSS(=O)(=O)[O-])Cl

InChI

InChI=1S/C10H11ClN4O4S2/c11-8-3-1-7(2-4-8)9-13-14(10(16)15(9)12)5-6-20-21(17,18)19/h1-4H,5-6,12H2,(H,17,18,19)/p-1