2-(isoquinolin-1-ylmethoxy)-2-(phenyldisulfanyl)ethanal

Systemtic Name: 2-(isoquinolin-1-ylmethoxy)-2-(phenyldisulfanyl)ethanal Openeye Name: 2-(1-isoquinolylmethoxy)-2-(phenyldisulfanyl)acetaldehyde CAS Name: 2-(1-isoquinolinylmethoxy)-2-(phenyldisulfanyl)acetaldehyde IUPAC Name: 2-(isoquinolin-1-ylmethoxy)-2-(phenyldisulfanyl)acetaldehyde Traditional Name: 2-(1-isoquinolylmethoxy)-2-(phenyldisulfanyl)acetaldehyde Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SSC(C=O)OCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SSC(C=O)OCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H15NO2S2/c20-12-18(23-22-15-7-2-1-3-8-15)21-13-17-16-9-5-4-6-14(16)10-11-19-17/h1-12,18H,13H2