[3-(4-nitrophenoxy)-2-oxidanyl-propyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate

Systemtic Name: [3-(4-nitrophenoxy)-2-oxidanyl-propyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate Openeye Name: [2-hydroxy-3-(4-nitrophenoxy)propyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [2-hydroxy-3-(4-nitrophenoxy)propyl] ester IUPAC Name: [2-hydroxy-3-(4-nitrophenoxy)propyl] 3,4-dihydro-1H-isoquinoline-2-carbodithioate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carbodithioic acid [2-hydroxy-3-(4-nitrophenoxy)propyl] ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)SCC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)SCC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H20N2O4S2/c22-17(12-25-18-7-5-16(6-8-18)21(23)24)13-27-19(26)20-10-9-14-3-1-2-4-15(14)11-20/h1-8,17,22H,9-13H2