3-[(2-chlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[(2-chlorophenyl)methylthio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[(2-chlorobenzyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C19H20ClNOS MolecularWeight: 345.8862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCSCC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCSCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClNOS/c20-18-8-4-3-7-17(18)14-23-12-10-19(22)21-11-9-15-5-1-2-6-16(15)13-21/h1-8H,9-14H2