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

Systemtic Name: N-[[4-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[[4-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]piazthiole-4-sulfonamide Formula: C17H17N7O2S3 MolecularWeight: 447.55758

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H17N7O2S3/c1-23(2)11-6-8-12(9-7-11)24-15(19-20-17(24)27)10-18-29(25,26)14-5-3-4-13-16(14)22-28-21-13/h3-9,18H,10H2,1-2H3,(H,20,27)