S-phenyl 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carbothioate

Systemtic Name: S-phenyl 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carbothioate Openeye Name: S-phenyl 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carbothioate CAS Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-4-quinolinecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carbothioate Traditional Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carbothioic acid S-phenyl ester Formula: C25H20ClNOS MolecularWeight: 417.9504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)SC4=CC=CC=C4)C

InChI

InChI=1S/C25H20ClNOS/c1-15-12-16(2)23-21(13-15)22(25(28)29-20-10-5-4-6-11-20)17(3)24(27-23)18-8-7-9-19(26)14-18/h4-14H,1-3H3