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

Systemtic Name: N-[[4-(4-propan-2-ylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-(4-isopropylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-(4-propan-2-ylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(4-propan-2-ylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(4-p-cumenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]piazthiole-4-sulfonamide Formula: C18H18N6O2S3 MolecularWeight: 446.56952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2S3/c1-11(2)12-6-8-13(9-7-12)24-16(20-21-18(24)27)10-19-29(25,26)15-5-3-4-14-17(15)23-28-22-14/h3-9,11,19H,10H2,1-2H3,(H,21,27)