1-(4-chloranyl-3-fluoranyl-phenyl)-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-(4-chloranyl-3-fluoranyl-phenyl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(4-chloro-3-fluoro-phenyl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(4-chloro-3-fluorophenyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(4-chloro-3-fluorophenyl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(4-chloro-3-fluoro-phenyl)-3-(5-isoquinolyl)thiourea Formula: C16H11ClFN3S MolecularWeight: 331.795043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C16H11ClFN3S/c17-13-5-4-11(8-14(13)18)20-16(22)21-15-3-1-2-10-9-19-7-6-12(10)15/h1-9H,(H2,20,21,22)