5-isoquinolin-5-ylsulfanyl-2-nitro-benzenecarbonitrile

Systemtic Name: 5-isoquinolin-5-ylsulfanyl-2-nitro-benzenecarbonitrile Openeye Name: 5-(5-isoquinolylsulfanyl)-2-nitro-benzonitrile CAS Name: 5-(5-isoquinolinylthio)-2-nitrobenzonitrile IUPAC Name: 5-isoquinolin-5-ylsulfanyl-2-nitrobenzonitrile Traditional Name: 5-(5-isoquinolylthio)-2-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=CC(=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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