3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1,1-bis(2-pyridylmethyl)thiourea Formula: C20H16ClF3N4S MolecularWeight: 436.88105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H16ClF3N4S/c21-18-8-7-14(11-17(18)20(22,23)24)27-19(29)28(12-15-5-1-3-9-25-15)13-16-6-2-4-10-26-16/h1-11H,12-13H2,(H,27,29)