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

Systemtic Name: 4-chloranyl-N-[[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: N-[(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-chloro-benzenesulfonamide CAS Name: 4-chloro-N-[[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: N-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]-4-chlorobenzenesulfonamide Traditional Name: N-[[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]methyl]-4-chloro-benzenesulfonamide Formula: C19H19ClN4O2S2 MolecularWeight: 434.96276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN4O2S2/c1-2-12-24-18(13-21-28(25,26)17-10-8-16(20)9-11-17)22-23-19(24)27-14-15-6-4-3-5-7-15/h2-11,21H,1,12-14H2