1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one

Systemtic Name: 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one Openeye Name: 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(2-furylmethylsulfanyl)propan-1-one CAS Name: 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(2-furanylmethylthio)-1-propanone IUPAC Name: 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one Traditional Name: 1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3-(2-furfurylthio)propan-1-one Formula: C22H21ClO4S MolecularWeight: 416.91774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)SCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)SCC3=CC=CO3)OC

InChI

InChI=1S/C22H21ClO4S/c1-25-20-10-7-16(12-21(20)26-2)22(28-14-18-4-3-11-27-18)13-19(24)15-5-8-17(23)9-6-15/h3-12,22H,13-14H2,1-2H3