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

Systemtic Name: N,N-diethyl-3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S2/c1-3-22(4-2)27(24,25)17-12-8-11-16(13-17)18-20-21-19(26)23(18)14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3,(H,21,26)