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

Systemtic Name: 1-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotamide Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)N)C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCC(CC3)C(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C18H22N6O2S/c19-16(26)12-5-8-23(9-6-12)15(25)11-27-18-22-21-17(24(18)14-3-4-14)13-2-1-7-20-10-13/h1-2,7,10,12,14H,3-6,8-9,11H2,(H2,19,26)