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

Systemtic Name: 4-chloranyl-N-[(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: N-[(4-allyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-chloro-benzenesulfonamide CAS Name: 4-chloro-N-[[4-prop-2-enyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-prop-2-enyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: N-[[4-allyl-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]-4-chloro-benzenesulfonamide Formula: C15H15ClN4O2S2 MolecularWeight: 382.8882

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC#C)CNS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC#C)CNS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClN4O2S2/c1-3-9-20-14(18-19-15(20)23-10-4-2)11-17-24(21,22)13-7-5-12(16)6-8-13/h2-3,5-8,17H,1,9-11H2