3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide Openeye Name: 3-(4-cycloheptyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide IUPAC Name: 3-(4-cycloheptyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-(4-cycloheptyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide Formula: C19H28N4O2S2 MolecularWeight: 408.58122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3CCCCCC3

InChI

InChI=1S/C19H28N4O2S2/c1-3-22(4-2)27(24,25)17-13-9-10-15(14-17)18-20-21-19(26)23(18)16-11-7-5-6-8-12-16/h9-10,13-14,16H,3-8,11-12H2,1-2H3,(H,21,26)