1-[2-(2-chloranyl-3-ethoxy-6-fluoranyl-phenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea

Systemtic Name: 1-[2-(2-chloranyl-3-ethoxy-6-fluoranyl-phenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea Openeye Name: 1-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)ethyl]-3-(5-cyano-2-pyridyl)thiourea CAS Name: 1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-(5-cyano-2-pyridinyl)thiourea IUPAC Name: 1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea Traditional Name: 1-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)ethyl]-3-(5-cyano-2-pyridyl)thiourea Formula: C17H16ClFN4OS MolecularWeight: 378.851543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)C#N)Cl

Isomeric SMILES

CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H16ClFN4OS/c1-2-24-14-5-4-13(19)12(16(14)18)7-8-21-17(25)23-15-6-3-11(9-20)10-22-15/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)