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

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(4-p-phenetyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]piazthiole-4-sulfonamide Formula: C17H16N6O3S3 MolecularWeight: 448.54234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H16N6O3S3/c1-2-26-12-8-6-11(7-9-12)23-15(19-20-17(23)27)10-18-29(24,25)14-5-3-4-13-16(14)22-28-21-13/h3-9,18H,2,10H2,1H3,(H,20,27)