1-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-N-methyl-piperidine-4-carboxamide Openeye Name: 1-[2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-[2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]-N-methyl-isonipecotamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C(=O)NC)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC(CC2)C(=O)NC)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H27N5O2S/c1-4-25-18(16-7-5-6-14(2)12-16)22-23-20(25)28-13-17(26)24-10-8-15(9-11-24)19(27)21-3/h5-7,12,15H,4,8-11,13H2,1-3H3,(H,21,27)