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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S2/c1-2-3-13-22-17(19-20-18(22)25)14-9-11-15(12-10-14)21-26(23,24)16-7-5-4-6-8-16/h4-12,21H,2-3,13H2,1H3,(H,20,25)