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

Systemtic Name: S-phenyl 3,6,8-trimethyl-2-phenyl-quinoline-4-carbothioate Openeye Name: S-phenyl 3,6,8-trimethyl-2-phenyl-quinoline-4-carbothioate CAS Name: 3,6,8-trimethyl-2-phenyl-4-quinolinecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3,6,8-trimethyl-2-phenylquinoline-4-carbothioate Traditional Name: 3,6,8-trimethyl-2-phenyl-quinoline-4-carbothioic acid S-phenyl ester Formula: C25H21NOS MolecularWeight: 383.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NOS/c1-16-14-17(2)23-21(15-16)22(25(27)28-20-12-8-5-9-13-20)18(3)24(26-23)19-10-6-4-7-11-19/h4-15H,1-3H3