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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chloro-4-fluoro-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chloro-4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(3-chloro-4-fluoro-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C20H17ClFN3S MolecularWeight: 385.885483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3S/c21-18-11-17(8-9-19(18)22)24-20(26)25(13-15-5-2-1-3-6-15)14-16-7-4-10-23-12-16/h1-12H,13-14H2,(H,24,26)