1-[(2-phenylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 1-[(2-phenylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-[(2-phenylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-[(2-phenylphenyl)methylthio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-[(2-phenylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-[(2-phenylbenzyl)thio]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C22H21NOS MolecularWeight: 347.47324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=O)C=C2C1)SCC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(NC(=O)C=C2C1)SCC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C22H21NOS/c24-21-14-17-10-4-7-13-20(17)22(23-21)25-15-18-11-5-6-12-19(18)16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12,14H,4,7,10,13,15H2,(H,23,24)