S-pyridin-2-yl 4-tert-butylbenzenecarbothioate

Systemtic Name: S-pyridin-2-yl 4-tert-butylbenzenecarbothioate Openeye Name: S-(2-pyridyl) 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-(2-pyridyl) ester Formula: C16H17NOS MolecularWeight: 271.37728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=CC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=CC=CC=N2

InChI

InChI=1S/C16H17NOS/c1-16(2,3)13-9-7-12(8-10-13)15(18)19-14-6-4-5-11-17-14/h4-11H,1-3H3