1-[(E)-(5-cyanoisoquinolin-1-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(5-cyanoisoquinolin-1-yl)methylideneamino]thiourea Openeye Name: [(E)-(5-cyano-1-isoquinolyl)methyleneamino]thiourea CAS Name: [(E)-(5-cyano-1-isoquinolinyl)methylideneamino]thiourea IUPAC Name: [(E)-(5-cyanoisoquinolin-1-yl)methylideneamino]thiourea Traditional Name: [(E)-(5-cyano-1-isoquinolyl)methyleneamino]thiourea Formula: C12H9N5S MolecularWeight: 255.29836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN=C(C2=C1)C=NNC(=S)N)C#N

Isomeric SMILES

C1=CC(=C2C=CN=C(C2=C1)/C=N/NC(=S)N)C#N

InChI

InChI=1S/C12H9N5S/c13-6-8-2-1-3-10-9(8)4-5-15-11(10)7-16-17-12(14)18/h1-5,7H,(H3,14,17,18)/b16-7+