4-azanyl-5-oxidanylidene-3-phenyl-1-(2-sulfosulfanylethyl)-1,2,4-triazole

Systemtic Name: 4-azanyl-5-oxidanylidene-3-phenyl-1-(2-sulfosulfanylethyl)-1,2,4-triazole Openeye Name: 4-amino-5-oxo-3-phenyl-1-(2-sulfosulfanylethyl)-1,2,4-triazole CAS Name: 4-amino-5-oxo-3-phenyl-1-[2-(sulfothio)ethyl]-1,2,4-triazole IUPAC Name: 4-amino-5-oxo-3-phenyl-1-(2-sulfosulfanylethyl)-1,2,4-triazole Traditional Name: 4-amino-5-keto-3-phenyl-1-[2-(sulfothio)ethyl]-1,2,4-triazole Formula: C10H12N4O4S2 MolecularWeight: 316.35668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CCSS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CCSS(=O)(=O)O

InChI

InChI=1S/C10H12N4O4S2/c11-14-9(8-4-2-1-3-5-8)12-13(10(14)15)6-7-19-20(16,17)18/h1-5H,6-7,11H2,(H,16,17,18)