2-[(4-chlorophenyl)sulfanyl-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 2-[(4-chlorophenyl)sulfanyl-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 2-[(4-chlorophenyl)sulfanyl-(3,4-dimethoxyphenyl)methyl]tetralin-1-one CAS Name: 2-[[(4-chlorophenyl)thio]-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 2-[(4-chlorophenyl)sulfanyl-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 2-[[(4-chlorophenyl)thio]-(3,4-dimethoxyphenyl)methyl]tetralin-1-one Formula: C25H23ClO3S MolecularWeight: 438.96632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2CCC3=CC=CC=C3C2=O)SC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2CCC3=CC=CC=C3C2=O)SC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C25H23ClO3S/c1-28-22-14-8-17(15-23(22)29-2)25(30-19-11-9-18(26)10-12-19)21-13-7-16-5-3-4-6-20(16)24(21)27/h3-6,8-12,14-15,21,25H,7,13H2,1-2H3