2-(2-methyl-3H-isoquinolin-3-yl)ethanedithioic acid

Systemtic Name: 2-(2-methyl-3H-isoquinolin-3-yl)ethanedithioic acid Openeye Name: 2-(2-methyl-3H-isoquinolin-3-yl)ethanedithioic acid CAS Name: 2-(2-methyl-3H-isoquinolin-3-yl)ethanedithioic acid IUPAC Name: 2-(2-methyl-3H-isoquinolin-3-yl)ethanedithioic acid Traditional Name: 2-(2-methyl-3H-isoquinolin-3-yl)ethanedithioic acid Formula: C12H13NS2 MolecularWeight: 235.36832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=CC=CC2=CC1CC(=S)S

Isomeric SMILES

CN1C=C2C=CC=CC2=CC1CC(=S)S

InChI

InChI=1S/C12H13NS2/c1-13-8-10-5-3-2-4-9(10)6-11(13)7-12(14)15/h2-6,8,11H,7H2,1H3,(H,14,15)