5-isoquinolin-5-ylsulfanyl-2,4-dinitro-aniline

Systemtic Name: 5-isoquinolin-5-ylsulfanyl-2,4-dinitro-aniline Openeye Name: 5-(5-isoquinolylsulfanyl)-2,4-dinitro-aniline CAS Name: 5-(5-isoquinolinylthio)-2,4-dinitroaniline IUPAC Name: 5-isoquinolin-5-ylsulfanyl-2,4-dinitroaniline Traditional Name: [5-(5-isoquinolylthio)-2,4-dinitro-phenyl]amine Formula: C15H10N4O4S MolecularWeight: 342.3293

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O4S/c16-11-6-15(13(19(22)23)7-12(11)18(20)21)24-14-3-1-2-9-8-17-5-4-10(9)14/h1-8H,16H2