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

Systemtic Name: N,N-diethyl-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzenesulfonamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S2/c1-3-21(4-2)26(23,24)16-12-8-9-14(13-16)17-19-20-18(25)22(17)15-10-6-5-7-11-15/h5-13H,3-4H2,1-2H3,(H,20,25)