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6,7-dimethoxy-2-[3-(4-nitrophenyl)sulfanylpropyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[3-(4-nitrophenyl)sulfanylpropyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name:6,7-dimethoxy-2-[3-(4-nitrophenyl)sulfanylpropyl]-3,4-dihydro-1H-isoquinoline
Openeye Name:6,7-dimethoxy-2-[3-(4-nitrophenyl)sulfanylpropyl]-3,4-dihydro-1H-isoquinoline
CAS Name:6,7-dimethoxy-2-[3-[(4-nitrophenyl)thio]propyl]-3,4-dihydro-1H-isoquinoline
IUPAC Name:6,7-dimethoxy-2-[3-(4-nitrophenyl)sulfanylpropyl]-3,4-dihydro-1H-isoquinoline
Traditional Name:6,7-dimethoxy-2-[3-[(4-nitrophenyl)thio]propyl]-3,4-dihydro-1H-isoquinoline
Formula: C20H24N2O4S
MolecularWeight: 388.48056
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCSC3=CC=C(C=C3)[N+](=O)[O-])OC


Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCSC3=CC=C(C=C3)[N+](=O)[O-])OC


InChI

InChI=1S/C20H24N2O4S/c1-25-19-12-15-8-10-21(14-16(15)13-20(19)26-2)9-3-11-27-18-6-4-17(5-7-18)22(23)24/h4-7,12-13H,3,8-11,14H2,1-2H3


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