1-isoquinolin-5-yl-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(5-isoquinolyl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(5-isoquinolinyl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-isoquinolin-5-yl-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(5-isoquinolyl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C17H12F3N3S MolecularWeight: 347.35749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H12F3N3S/c18-17(19,20)13-5-1-2-6-15(13)23-16(24)22-14-7-3-4-11-10-21-9-8-12(11)14/h1-10H,(H2,22,23,24)