4-butyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide

Systemtic Name: 4-butyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide Openeye Name: 4-butyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide CAS Name: 4-butyl-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]benzenesulfonamide IUPAC Name: 4-butyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide Traditional Name: 4-butyl-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]benzenesulfonamide Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SC

InChI

InChI=1S/C13H18N4O2S2/c1-3-4-5-10-6-8-11(9-7-10)21(18,19)17-12-14-13(20-2)16-15-12/h6-9H,3-5H2,1-2H3,(H2,14,15,16,17)