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

Systemtic Name: N-[[4-(cyclohexylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(cyclohexylmethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(cyclohexylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(cyclohexylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[[4-(cyclohexylmethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]piazthiole-4-sulfonamide Formula: C16H20N6O2S3 MolecularWeight: 424.564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCC(CC1)CN2C(=NNC2=S)CNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H20N6O2S3/c23-27(24,13-8-4-7-12-15(13)21-26-20-12)17-9-14-18-19-16(25)22(14)10-11-5-2-1-3-6-11/h4,7-8,11,17H,1-3,5-6,9-10H2,(H,19,25)