1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanyl-butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylsulfanylbutan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylthio)butan-1-one Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C19H21NOS/c21-19(11-6-14-22-18-9-2-1-3-10-18)20-13-12-16-7-4-5-8-17(16)15-20/h1-5,7-10H,6,11-15H2