2-[[4-phenethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-phenethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenethyl-5-[4-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenethyl-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-phenethyl-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenethyl-5-(4-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CCC4=CC=CC=C4)SCC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CCC4=CC=CC=C4)SCC(=O)N

InChI

InChI=1S/C23H27N5O3S2/c24-21(29)17-32-23-26-25-22(28(23)16-13-18-7-3-1-4-8-18)19-9-11-20(12-10-19)33(30,31)27-14-5-2-6-15-27/h1,3-4,7-12H,2,5-6,13-17H2,(H2,24,29)