4-(5-sulfanylidene-3-tridecyl-1H-1,2,4-triazol-4-yl)benzenesulfonamide

Systemtic Name: 4-(5-sulfanylidene-3-tridecyl-1H-1,2,4-triazol-4-yl)benzenesulfonamide Openeye Name: 4-(5-thioxo-3-tridecyl-1H-1,2,4-triazol-4-yl)benzenesulfonamide CAS Name: 4-(5-sulfanylidene-3-tridecyl-1H-1,2,4-triazol-4-yl)benzenesulfonamide IUPAC Name: 4-(5-sulfanylidene-3-tridecyl-1H-1,2,4-triazol-4-yl)benzenesulfonamide Traditional Name: 4-(5-thioxo-3-tridecyl-1H-1,2,4-triazol-4-yl)benzenesulfonamide Formula: C21H34N4O2S2 MolecularWeight: 438.65026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCCCCC1=NNC(=S)N1C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H34N4O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-23-24-21(28)25(20)18-14-16-19(17-15-18)29(22,26)27/h14-17H,2-13H2,1H3,(H,24,28)(H2,22,26,27)