1-[bis(phenylsulfanyl)methyl]-2-(phenylmethyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 1-[bis(phenylsulfanyl)methyl]-2-(phenylmethyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 2-benzyl-1-[bis(phenylsulfanyl)methyl]-1,4-dihydroisoquinolin-3-one CAS Name: 1-[bis(phenylthio)methyl]-2-(phenylmethyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-benzyl-1-[bis(phenylsulfanyl)methyl]-1,4-dihydroisoquinolin-3-one Traditional Name: 2-benzyl-1-[bis(phenylthio)methyl]-1,4-dihydroisoquinolin-3-one Formula: C29H25NOS2 MolecularWeight: 467.6449

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N(C1=O)CC3=CC=CC=C3)C(SC4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C(N(C1=O)CC3=CC=CC=C3)C(SC4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C29H25NOS2/c31-27-20-23-14-10-11-19-26(23)28(30(27)21-22-12-4-1-5-13-22)29(32-24-15-6-2-7-16-24)33-25-17-8-3-9-18-25/h1-19,28-29H,20-21H2