3-(3-chloranyl-4-fluoranyl-phenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-(2-pyridinylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-(2-pyridylmethyl)-1-(3-pyridylmethyl)thiourea Formula: C19H16ClFN4S MolecularWeight: 386.873543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClFN4S/c20-17-10-15(6-7-18(17)21)24-19(26)25(12-14-4-3-8-22-11-14)13-16-5-1-2-9-23-16/h1-11H,12-13H2,(H,24,26)