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3-methoxy-5-[(3-methyl-2-nitro-phenyl)sulfanylmethyl]isoquinoline

3-methoxy-5-[(3-methyl-2-nitro-phenyl)sulfanylmethyl]isoquinoline

Systemtic Name:3-methoxy-5-[(3-methyl-2-nitro-phenyl)sulfanylmethyl]isoquinoline
Openeye Name:3-methoxy-5-[(3-methyl-2-nitro-phenyl)sulfanylmethyl]isoquinoline
CAS Name:3-methoxy-5-[[(3-methyl-2-nitrophenyl)thio]methyl]isoquinoline
IUPAC Name:3-methoxy-5-[(3-methyl-2-nitrophenyl)sulfanylmethyl]isoquinoline
Traditional Name:3-methoxy-5-[[(3-methyl-2-nitro-phenyl)thio]methyl]isoquinoline
Formula: C18H16N2O3S
MolecularWeight: 340.39624
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCC2=CC=CC3=CN=C(C=C32)OC)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C(=CC=C1)SCC2=CC=CC3=CN=C(C=C32)OC)[N+](=O)[O-]


InChI

InChI=1S/C18H16N2O3S/c1-12-5-3-8-16(18(12)20(21)22)24-11-14-7-4-6-13-10-19-17(23-2)9-15(13)14/h3-10H,11H2,1-2H3


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