S-tert-butyl 2-methyl-4-phenyl-quinoline-3-carbothioate

Systemtic Name: S-tert-butyl 2-methyl-4-phenyl-quinoline-3-carbothioate Openeye Name: S-tert-butyl 2-methyl-4-phenyl-quinoline-3-carbothioate CAS Name: 2-methyl-4-phenyl-3-quinolinecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-methyl-4-phenylquinoline-3-carbothioate Traditional Name: 2-methyl-4-phenyl-quinoline-3-carbothioic acid S-tert-butyl ester Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1C(=O)SC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1C(=O)SC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NOS/c1-14-18(20(23)24-21(2,3)4)19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)22-14/h5-13H,1-4H3