N-[[4-(2-methylsulfanylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[[4-(2-methylsulfanylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(2-methylsulfanylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-[2-(methylthio)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(2-methylsulfanylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[[4-[2-(methylthio)phenyl]-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]piazthiole-4-sulfonamide Formula: C16H14N6O2S4 MolecularWeight: 450.58136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CSC1=CC=CC=C1N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H14N6O2S4/c1-26-12-7-3-2-6-11(12)22-14(18-19-16(22)25)9-17-28(23,24)13-8-4-5-10-15(13)21-27-20-10/h2-8,17H,9H2,1H3,(H,19,25)