2-[[4-methyl-5-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-methyl-5-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-methyl-5-[(3S)-1-methylsulfonyl-3-piperidyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-methyl-5-[(3S)-1-methylsulfonyl-3-piperidinyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-methyl-5-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(3S)-1-mesyl-3-piperidyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C17H23N5O3S2/c1-21-16(13-7-6-10-22(11-13)27(2,24)25)19-20-17(21)26-12-15(23)18-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,18,23)/t13-/m0/s1