4-chloranyl-N-[(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-chloro-benzenesulfonamide CAS Name: 4-chloro-N-[[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: N-[[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-benzenesulfonamide Formula: C13H15ClN4O2S2 MolecularWeight: 358.8668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)CNS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCC=C)CNS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4O2S2/c1-3-8-21-13-17-16-12(18(13)2)9-15-22(19,20)11-6-4-10(14)5-7-11/h3-7,15H,1,8-9H2,2H3