2-azanyl-5-isoquinolin-5-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-isoquinolin-5-ylsulfanyl-benzenecarbonitrile Openeye Name: 2-amino-5-(5-isoquinolylsulfanyl)benzonitrile CAS Name: 2-amino-5-(5-isoquinolinylthio)benzonitrile IUPAC Name: 2-amino-5-isoquinolin-5-ylsulfanylbenzonitrile Traditional Name: 2-amino-5-(5-isoquinolylthio)benzonitrile Formula: C16H11N3S MolecularWeight: 277.34364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)SC3=CC(=C(C=C3)N)C#N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)SC3=CC(=C(C=C3)N)C#N

InChI

InChI=1S/C16H11N3S/c17-9-12-8-13(4-5-15(12)18)20-16-3-1-2-11-10-19-7-6-14(11)16/h1-8,10H,18H2