S-tert-butyl 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carbothioate

Systemtic Name: S-tert-butyl 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carbothioate Openeye Name: S-tert-butyl 6-chloro-2-methyl-4-phenyl-quinoline-3-carbothioate CAS Name: 6-chloro-2-methyl-4-phenyl-3-quinolinecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 6-chloro-2-methyl-4-phenylquinoline-3-carbothioate Traditional Name: 6-chloro-2-methyl-4-phenyl-quinoline-3-carbothioic acid S-tert-butyl ester Formula: C21H20ClNOS MolecularWeight: 369.9076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C(=O)SC(C)(C)C

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C(=O)SC(C)(C)C

InChI

InChI=1S/C21H20ClNOS/c1-13-18(20(24)25-21(2,3)4)19(14-8-6-5-7-9-14)16-12-15(22)10-11-17(16)23-13/h5-12H,1-4H3