3-methyl-N-[2-[1-(2-pyridin-4-ylsulfanylethanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(2-pyridin-4-ylsulfanylethanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-[2-(4-pyridylsulfanyl)acetyl]-4-piperidyl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-piperidinyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-[2-(4-pyridylthio)acetyl]-4-piperidyl]pyrazol-3-yl]butyramide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C20H27N5O2S/c1-15(2)13-19(26)23-18-5-10-22-25(18)16-6-11-24(12-7-16)20(27)14-28-17-3-8-21-9-4-17/h3-5,8-10,15-16H,6-7,11-14H2,1-2H3,(H,23,26)