1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(4-chloranylpyrazol-1-yl)ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(4-chloranylpyrazol-1-yl)ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(4-chloro-1-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[2-(4-chloropyrazol-1-yl)ethyl]thiourea Formula: C12H11Cl2FN4S MolecularWeight: 333.211943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NCCN2C=C(C=N2)Cl)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NCCN2C=C(C=N2)Cl)Cl)F

InChI

InChI=1S/C12H11Cl2FN4S/c13-8-6-17-19(7-8)4-3-16-12(20)18-9-1-2-11(15)10(14)5-9/h1-2,5-7H,3-4H2,(H2,16,18,20)