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

Systemtic Name: 1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]isonipecotamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C17H21N5O2S/c1-11-2-4-13(5-3-11)16-19-17(21-20-16)25-10-14(23)22-8-6-12(7-9-22)15(18)24/h2-5,12H,6-10H2,1H3,(H2,18,24)(H,19,20,21)