4-isoquinolin-5-ylsulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 4-isoquinolin-5-ylsulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 4-(5-isoquinolylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(5-isoquinolinylthio)-3-nitrobenzonitrile IUPAC Name: 4-isoquinolin-5-ylsulfanyl-3-nitrobenzonitrile Traditional Name: 4-(5-isoquinolylthio)-3-nitro-benzonitrile Formula: C16H9N3O2S MolecularWeight: 307.32656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O2S/c17-9-11-4-5-16(14(8-11)19(20)21)22-15-3-1-2-12-10-18-7-6-13(12)15/h1-8,10H