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

Systemtic Name: N,N-diethyl-3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-(4-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-(4-phenethyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S2/c1-3-23(4-2)28(25,26)18-12-8-11-17(15-18)19-21-22-20(27)24(19)14-13-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,27)