4-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)sulfonyl-6-methyl-quinoline

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)sulfonyl-6-methyl-quinoline Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)sulfonyl-6-methyl-quinoline CAS Name: 4-[(4-chlorophenyl)methylthio]-3-(4-ethoxyphenyl)sulfonyl-6-methylquinoline IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)sulfonyl-6-methylquinoline Traditional Name: 4-[(4-chlorobenzyl)thio]-6-methyl-3-p-phenetylsulfonyl-quinoline Formula: C25H22ClNO3S2 MolecularWeight: 484.03008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2SCC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2SCC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H22ClNO3S2/c1-3-30-20-9-11-21(12-10-20)32(28,29)24-15-27-23-13-4-17(2)14-22(23)25(24)31-16-18-5-7-19(26)8-6-18/h4-15H,3,16H2,1-2H3