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

Systemtic Name: 4-chloranyl-N-[1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butyl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)butyl]benzenesulfonamide CAS Name: 4-chloro-N-[1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butyl]benzenesulfonamide Traditional Name: 4-chloro-N-[1-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)butyl]benzenesulfonamide Formula: C13H17ClN4O2S2 MolecularWeight: 360.88268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NNC(=S)N1C)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(C1=NNC(=S)N1C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN4O2S2/c1-3-4-11(12-15-16-13(21)18(12)2)17-22(19,20)10-7-5-9(14)6-8-10/h5-8,11,17H,3-4H2,1-2H3,(H,16,21)