S-[(3E)-3-[[1-(2-oxidanylidenebutyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3E)-3-[[1-(2-oxidanylidenebutyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3E)-3-[[1-(2-oxobutyl)pyrazol-3-yl]methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3E)-3-[[1-(2-oxobutyl)-3-pyrazolyl]methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3E)-3-[[1-(2-oxobutyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3E)-3-[[1-(2-ketobutyl)pyrazol-3-yl]methylene]-4-piperidyl] ester Formula: C15H21N3O2S MolecularWeight: 307.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C=CC(=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCC(=O)CN1C=CC(=N1)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C15H21N3O2S/c1-3-14(20)10-18-7-5-13(17-18)8-12-9-16-6-4-15(12)21-11(2)19/h5,7-8,15-16H,3-4,6,9-10H2,1-2H3/b12-8+