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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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