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

Systemtic Name: 4-bromanyl-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: N-[[4-allyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[[5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: N-[[4-allyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzenesulfonamide Formula: C20H21BrN4O3S2 MolecularWeight: 509.43974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O3S2/c1-2-12-25-19(15-22-30(26,27)18-10-8-16(21)9-11-18)23-24-20(25)29-14-13-28-17-6-4-3-5-7-17/h2-11,22H,1,12-15H2