4-chloranyl-5-isoquinolin-5-ylsulfanyl-2-nitro-aniline

Systemtic Name: 4-chloranyl-5-isoquinolin-5-ylsulfanyl-2-nitro-aniline Openeye Name: 4-chloro-5-(5-isoquinolylsulfanyl)-2-nitro-aniline CAS Name: 4-chloro-5-(5-isoquinolinylthio)-2-nitroaniline IUPAC Name: 4-chloro-5-isoquinolin-5-ylsulfanyl-2-nitroaniline Traditional Name: [4-chloro-5-(5-isoquinolylthio)-2-nitro-phenyl]amine Formula: C15H10ClN3O2S MolecularWeight: 331.7768

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN3O2S/c16-11-6-13(19(20)21)12(17)7-15(11)22-14-3-1-2-9-8-18-5-4-10(9)14/h1-8H,17H2