S-pyridin-2-yl 3,5-ditert-butylbenzenecarbothioate

Systemtic Name: S-pyridin-2-yl 3,5-ditert-butylbenzenecarbothioate Openeye Name: S-(2-pyridyl) 3,5-ditert-butylbenzenecarbothioate CAS Name: 3,5-ditert-butylbenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 3,5-ditert-butylbenzenecarbothioate Traditional Name: 3,5-ditert-butylthiobenzoic acid S-(2-pyridyl) ester Formula: C20H25NOS MolecularWeight: 327.4836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NOS/c1-19(2,3)15-11-14(12-16(13-15)20(4,5)6)18(22)23-17-9-7-8-10-21-17/h7-13H,1-6H3