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

Systemtic Name: 1-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-allyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2S/c1-2-8-24-17(14-4-3-7-20-11-14)21-22-18(24)27-12-15(25)23-9-5-13(6-10-23)16(19)26/h2-4,7,11,13H,1,5-6,8-10,12H2,(H2,19,26)