S-[5-(trifluoromethyl)pyridin-2-yl] 4-tert-butylbenzenecarbothioate

Systemtic Name: S-[5-(trifluoromethyl)pyridin-2-yl] 4-tert-butylbenzenecarbothioate Openeye Name: S-[5-(trifluoromethyl)-2-pyridyl] 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-[5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: S-[5-(trifluoromethyl)pyridin-2-yl] 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-[5-(trifluoromethyl)-2-pyridyl] ester Formula: C17H16F3NOS MolecularWeight: 339.37525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NOS/c1-16(2,3)12-6-4-11(5-7-12)15(22)23-14-9-8-13(10-21-14)17(18,19)20/h4-10H,1-3H3