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

Systemtic Name: S-[(3Z)-3-[[1-(2-hydroxyethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-[[1-(2-hydroxyethyl)pyrazol-3-yl]methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-[[1-(2-hydroxyethyl)-3-pyrazolyl]methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-[[1-(2-hydroxyethyl)pyrazol-3-yl]methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-[[1-(2-hydroxyethyl)pyrazol-3-yl]methylene]-4-piperidyl] ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=NN(C=C2)CCO

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S/c1-10(18)19-13-2-4-14-9-11(13)8-12-3-5-16(15-12)6-7-17/h3,5,8,13-14,17H,2,4,6-7,9H2,1H3/b11-8-