S-quinolin-2-yl 4-tert-butylbenzenecarbothioate

Systemtic Name: S-quinolin-2-yl 4-tert-butylbenzenecarbothioate Openeye Name: S-(2-quinolyl) 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-(2-quinolinyl) ester IUPAC Name: S-quinolin-2-yl 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-(2-quinolyl) ester Formula: C20H19NOS MolecularWeight: 321.43596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H19NOS/c1-20(2,3)16-11-8-15(9-12-16)19(22)23-18-13-10-14-6-4-5-7-17(14)21-18/h4-13H,1-3H3