[6-[(2-chlorophenyl)methylsulfanyl]pyridin-3-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [6-[(2-chlorophenyl)methylsulfanyl]pyridin-3-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [6-[(2-chlorophenyl)methylsulfanyl]-3-pyridyl]-(3,4-dimethoxyphenyl)methanone CAS Name: [6-[(2-chlorophenyl)methylthio]-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [6-[(2-chlorophenyl)methylsulfanyl]pyridin-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [6-[(2-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=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3Cl)OC

InChI

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