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

Systemtic Name: 4-bromanyl-N-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: 4-bromo-N-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide CAS Name: 4-bromo-N-[[4-methyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: 4-bromo-N-[[4-methyl-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C13H13BrN4O2S2 MolecularWeight: 401.30192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#C)CNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=C1SCC#C)CNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN4O2S2/c1-3-8-21-13-17-16-12(18(13)2)9-15-22(19,20)11-6-4-10(14)5-7-11/h1,4-7,15H,8-9H2,2H3