N-(4-bromophenyl)-2-[[5-(1-methylsulfonylpiperidin-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[5-(1-methylsulfonylpiperidin-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-(1-methylsulfonyl-3-piperidyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(1-methylsulfonyl-3-piperidinyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(1-methylsulfonylpiperidin-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-(1-mesyl-3-piperidyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H28BrN5O3S2 MolecularWeight: 578.54482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H28BrN5O3S2/c1-35(32,33)29-14-5-8-19(16-29)23-27-28-24(30(23)15-13-18-6-3-2-4-7-18)34-17-22(31)26-21-11-9-20(25)10-12-21/h2-4,6-7,9-12,19H,5,8,13-17H2,1H3,(H,26,31)