3-butylsulfanyl-6,7-dimethoxy-1-methyl-4-nitro-isoquinoline

Systemtic Name: 3-butylsulfanyl-6,7-dimethoxy-1-methyl-4-nitro-isoquinoline Openeye Name: 3-butylsulfanyl-6,7-dimethoxy-1-methyl-4-nitro-isoquinoline CAS Name: 3-(butylthio)-6,7-dimethoxy-1-methyl-4-nitroisoquinoline IUPAC Name: 3-butylsulfanyl-6,7-dimethoxy-1-methyl-4-nitroisoquinoline Traditional Name: 3-(butylthio)-6,7-dimethoxy-1-methyl-4-nitro-isoquinoline Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4S/c1-5-6-7-23-16-15(18(19)20)12-9-14(22-4)13(21-3)8-11(12)10(2)17-16/h8-9H,5-7H2,1-4H3