5-isoquinolin-5-ylsulfanyl-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: 5-isoquinolin-5-ylsulfanyl-2-nitro-4-(trifluoromethyl)aniline Openeye Name: 5-(5-isoquinolylsulfanyl)-2-nitro-4-(trifluoromethyl)aniline CAS Name: 5-(5-isoquinolinylthio)-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: 5-isoquinolin-5-ylsulfanyl-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [5-(5-isoquinolylthio)-2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H10F3N3O2S MolecularWeight: 365.32971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=CC(=C(C=C3C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=CC(=C(C=C3C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C16H10F3N3O2S/c17-16(18,19)11-6-13(22(23)24)12(20)7-15(11)25-14-3-1-2-9-8-21-5-4-10(9)14/h1-8H,20H2