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

Systemtic Name: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide CAS Name: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1CC2=NNC(=S)N2C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1CC2=NNC(=S)N2C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H26N4O4S2/c1-5-24(6-2)31(26,27)19-14-18(29-4)17(28-3)12-15(19)13-20-22-23-21(30)25(20)16-10-8-7-9-11-16/h7-12,14H,5-6,13H2,1-4H3,(H,23,30)