S-(3-pyridin-4-ylpropyl) 4-pentylcyclohexane-1-carbothioate

Systemtic Name: S-(3-pyridin-4-ylpropyl) 4-pentylcyclohexane-1-carbothioate Openeye Name: S-[3-(4-pyridyl)propyl] 4-pentylcyclohexanecarbothioate CAS Name: 4-pentyl-1-cyclohexanecarbothioic acid S-(3-pyridin-4-ylpropyl) ester IUPAC Name: S-(3-pyridin-4-ylpropyl) 4-pentylcyclohexane-1-carbothioate Traditional Name: 4-amylcyclohexanecarbothioic acid S-[3-(4-pyridyl)propyl] ester Formula: C20H31NOS MolecularWeight: 333.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)SCCCC2=CC=NC=C2

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)SCCCC2=CC=NC=C2

InChI

InChI=1S/C20H31NOS/c1-2-3-4-6-17-8-10-19(11-9-17)20(22)23-16-5-7-18-12-14-21-15-13-18/h12-15,17,19H,2-11,16H2,1H3