S-(2-pyridin-4-ylethyl) 4-pentylcyclohexane-1-carbothioate

Systemtic Name: S-(2-pyridin-4-ylethyl) 4-pentylcyclohexane-1-carbothioate Openeye Name: S-[2-(4-pyridyl)ethyl] 4-pentylcyclohexanecarbothioate CAS Name: 4-pentyl-1-cyclohexanecarbothioic acid S-(2-pyridin-4-ylethyl) ester IUPAC Name: S-(2-pyridin-4-ylethyl) 4-pentylcyclohexane-1-carbothioate Traditional Name: 4-amylcyclohexanecarbothioic acid S-[2-(4-pyridyl)ethyl] ester Formula: C19H29NOS MolecularWeight: 319.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)SCCC2=CC=NC=C2

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)SCCC2=CC=NC=C2

InChI

InChI=1S/C19H29NOS/c1-2-3-4-5-16-6-8-18(9-7-16)19(21)22-15-12-17-10-13-20-14-11-17/h10-11,13-14,16,18H,2-9,12,15H2,1H3