S-[(3E)-3-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3E)-3-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3E)-3-[(2,5-dimethylpyrazol-3-yl)methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3E)-3-[(2,5-dimethyl-3-pyrazolyl)methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3E)-3-[(2,5-dimethylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3E)-3-[(2,5-dimethylpyrazol-3-yl)methylene]-4-piperidyl] ester Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C=C2CNCCC2SC(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1)/C=C/2\CNCCC2SC(=O)C)C

InChI

InChI=1S/C13H19N3OS/c1-9-6-12(16(3)15-9)7-11-8-14-5-4-13(11)18-10(2)17/h6-7,13-14H,4-5,8H2,1-3H3/b11-7+