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

Systemtic Name: N-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]piazthiole-4-sulfonamide Formula: C16H14N6O2S3 MolecularWeight: 418.51636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H14N6O2S3/c1-10-5-2-3-7-12(10)22-14(18-19-16(22)25)9-17-27(23,24)13-8-4-6-11-15(13)21-26-20-11/h2-8,17H,9H2,1H3,(H,19,25)