[6-[(4-chlorophenyl)methylsulfanyl]pyridin-3-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [6-[(4-chlorophenyl)methylsulfanyl]pyridin-3-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [6-[(4-chlorophenyl)methylsulfanyl]-3-pyridyl]-(3,4-dimethoxyphenyl)methanone CAS Name: [6-[(4-chlorophenyl)methylthio]-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [6-[(4-chlorophenyl)methylsulfanyl]pyridin-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [6-[(4-chlorobenzyl)thio]-3-pyridyl]-(3,4-dimethoxyphenyl)methanone Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H18ClNO3S/c1-25-18-9-5-15(11-19(18)26-2)21(24)16-6-10-20(23-12-16)27-13-14-3-7-17(22)8-4-14/h3-12H,13H2,1-2H3