S-[(3Z)-3-(pyrazin-2-ylmethylidene)piperidin-4-yl] ethanethioate

Systemtic Name: S-[(3Z)-3-(pyrazin-2-ylmethylidene)piperidin-4-yl] ethanethioate Openeye Name: S-[(3Z)-3-(pyrazin-2-ylmethylene)-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[(3Z)-3-(2-pyrazinylmethylidene)-4-piperidinyl] ester IUPAC Name: S-[(3Z)-3-(pyrazin-2-ylmethylidene)piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[(3Z)-3-(pyrazin-2-ylmethylene)-4-piperidyl] ester Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3OS/c1-9(16)17-12-2-3-13-7-10(12)6-11-8-14-4-5-15-11/h4-6,8,12-13H,2-3,7H2,1H3/b10-6-