S-[(3Z)-3-(pyridin-3-ylmethylidene)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-(pyridin-3-ylmethylidene)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-(3-pyridylmethylene)-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(3-pyridinylmethylidene)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-(pyridin-3-ylmethylidene)piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-(3-pyridylmethylene)-4-piperidyl] ester Formula: C13H16N2OS MolecularWeight: 248.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2OS/c1-10(16)17-13-4-6-15-9-12(13)7-11-3-2-5-14-8-11/h2-3,5,7-8,13,15H,4,6,9H2,1H3/b12-7-