4-bromanyl-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(4-allyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[[5-(methylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: N-[[4-allyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide Formula: C13H15BrN4O2S2 MolecularWeight: 403.3178

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC=C)CNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSC1=NN=C(N1CC=C)CNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN4O2S2/c1-3-8-18-12(16-17-13(18)21-2)9-15-22(19,20)11-6-4-10(14)5-7-11/h3-7,15H,1,8-9H2,2H3