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

Systemtic Name: 1-[2-(2-cyano-6-fluoranyl-3-methoxy-phenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea Openeye Name: 1-[2-(2-cyano-6-fluoro-3-methoxy-phenyl)ethyl]-3-(5-cyano-2-pyridyl)thiourea CAS Name: 1-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-3-(5-cyano-2-pyridinyl)thiourea IUPAC Name: 1-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-3-(5-cyanopyridin-2-yl)thiourea Traditional Name: 1-[2-(2-cyano-6-fluoro-3-methoxy-phenyl)ethyl]-3-(5-cyano-2-pyridyl)thiourea Formula: C17H14FN5OS MolecularWeight: 355.389363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)C#N)C#N

Isomeric SMILES

COC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)C#N)C#N

InChI

InChI=1S/C17H14FN5OS/c1-24-15-4-3-14(18)12(13(15)9-20)6-7-21-17(25)23-16-5-2-11(8-19)10-22-16/h2-5,10H,6-7H2,1H3,(H2,21,22,23,25)