1-[(E)-[5-(trifluoromethyl)isoquinolin-1-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-(trifluoromethyl)isoquinolin-1-yl]methylideneamino]thiourea Openeye Name: [(E)-[5-(trifluoromethyl)-1-isoquinolyl]methyleneamino]thiourea CAS Name: [(E)-[5-(trifluoromethyl)-1-isoquinolinyl]methylideneamino]thiourea IUPAC Name: [(E)-[5-(trifluoromethyl)isoquinolin-1-yl]methylideneamino]thiourea Traditional Name: [(E)-[5-(trifluoromethyl)-1-isoquinolyl]methyleneamino]thiourea Formula: C12H9F3N4S MolecularWeight: 298.28687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2/C=N/NC(=S)N)C(=C1)C(F)(F)F

InChI

InChI=1S/C12H9F3N4S/c13-12(14,15)9-3-1-2-8-7(9)4-5-17-10(8)6-18-19-11(16)20/h1-6H,(H3,16,19,20)/b18-6+