(3-methylsulfanyl-2-oxidanyl-propyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate

Systemtic Name: (3-methylsulfanyl-2-oxidanyl-propyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate Openeye Name: (2-hydroxy-3-methylsulfanyl-propyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [2-hydroxy-3-(methylthio)propyl] ester IUPAC Name: (2-hydroxy-3-methylsulfanylpropyl) 3,4-dihydro-1H-isoquinoline-2-carbodithioate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [2-hydroxy-3-(methylthio)propyl] ester Formula: C14H19NOS3 MolecularWeight: 313.50176

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CSC(=S)N1CCC2=CC=CC=C2C1)O

Isomeric SMILES

CSCC(CSC(=S)N1CCC2=CC=CC=C2C1)O

InChI

InChI=1S/C14H19NOS3/c1-18-9-13(16)10-19-14(17)15-7-6-11-4-2-3-5-12(11)8-15/h2-5,13,16H,6-10H2,1H3