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4-isoquinolin-5-ylsulfanyl-3-nitro-aniline

4-isoquinolin-5-ylsulfanyl-3-nitro-aniline

Systemtic Name:4-isoquinolin-5-ylsulfanyl-3-nitro-aniline
Openeye Name:4-(5-isoquinolylsulfanyl)-3-nitro-aniline
CAS Name:4-(5-isoquinolinylthio)-3-nitroaniline
IUPAC Name:4-isoquinolin-5-ylsulfanyl-3-nitroaniline
Traditional Name:[4-(5-isoquinolylthio)-3-nitro-phenyl]amine
Formula: C15H11N3O2S
MolecularWeight: 297.33174
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C(C=C3)N)[N+](=O)[O-]


Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=C(C=C(C=C3)N)[N+](=O)[O-]


InChI

InChI=1S/C15H11N3O2S/c16-11-4-5-15(13(8-11)18(19)20)21-14-3-1-2-10-9-17-7-6-12(10)14/h1-9H,16H2


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