S-[(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-[(1-methylpyrazol-3-yl)methylene]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-[(1-methyl-3-pyrazolyl)methylidene]-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-[(1-methylpyrazol-3-yl)methylene]-4-piperidyl] ester Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3OS/c1-9(16)17-12-3-5-13-8-10(12)7-11-4-6-15(2)14-11/h4,6-7,12-13H,3,5,8H2,1-2H3/b10-7-