3-chloranyl-4-isoquinolin-5-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-isoquinolin-5-ylsulfanyl-benzenecarbonitrile Openeye Name: 3-chloro-4-(5-isoquinolylsulfanyl)benzonitrile CAS Name: 3-chloro-4-(5-isoquinolinylthio)benzonitrile IUPAC Name: 3-chloro-4-isoquinolin-5-ylsulfanylbenzonitrile Traditional Name: 3-chloro-4-(5-isoquinolylthio)benzonitrile Formula: C16H9ClN2S MolecularWeight: 296.77406

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN2S/c17-14-8-11(9-18)4-5-16(14)20-15-3-1-2-12-10-19-7-6-13(12)15/h1-8,10H