1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiourea Formula: C18H16ClF4N3S MolecularWeight: 417.851353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H16ClF4N3S/c19-13-10-12(4-5-14(13)20)24-17(27)25-15-9-11(18(21,22)23)3-6-16(15)26-7-1-2-8-26/h3-6,9-10H,1-2,7-8H2,(H2,24,25,27)