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

Systemtic Name: N-[[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(1-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(1-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[[4-(1-phenylethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]piazthiole-4-sulfonamide Formula: C17H16N6O2S3 MolecularWeight: 432.54294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2S3/c1-11(12-6-3-2-4-7-12)23-15(19-20-17(23)26)10-18-28(24,25)14-9-5-8-13-16(14)22-27-21-13/h2-9,11,18H,10H2,1H3,(H,20,26)