1-(2-cyano-3-fluoranyl-phenyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyano-3-fluoranyl-phenyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyano-3-fluoro-phenyl)-3-(3,4-dichlorophenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyano-3-fluorophenyl)-3-(3,4-dichlorophenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyano-3-fluorophenyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyano-3-fluoro-phenyl)-3-(3,4-dichlorophenyl)-1-(3-pyridylmethyl)thiourea Formula: C20H13Cl2FN4S MolecularWeight: 431.313423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2FN4S/c21-16-7-6-14(9-17(16)22)26-20(28)27(12-13-3-2-8-25-11-13)19-5-1-4-18(23)15(19)10-24/h1-9,11H,12H2,(H,26,28)