S-[(3Z)-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-[[1-(2-pyridylmethyl)pyrazol-3-yl]methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-[[1-(2-pyridinylmethyl)-3-pyrazolyl]methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-[[1-(2-pyridylmethyl)pyrazol-3-yl]methylene]-4-piperidyl] ester Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=NN(C=C2)CC3=CC=CC=N3

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=NN(C=C2)CC3=CC=CC=N3

InChI

InChI=1S/C17H20N4OS/c1-13(22)23-17-5-8-18-11-14(17)10-15-6-9-21(20-15)12-16-4-2-3-7-19-16/h2-4,6-7,9-10,17-18H,5,8,11-12H2,1H3/b14-10-