1-(5-cyanopyridin-2-yl)-3-[1-(4-ethoxy-3-fluoranyl-pyridin-2-yl)ethyl]thiourea

Systemtic Name: 1-(5-cyanopyridin-2-yl)-3-[1-(4-ethoxy-3-fluoranyl-pyridin-2-yl)ethyl]thiourea Openeye Name: 1-(5-cyano-2-pyridyl)-3-[1-(4-ethoxy-3-fluoro-2-pyridyl)ethyl]thiourea CAS Name: 1-(5-cyano-2-pyridinyl)-3-[1-(4-ethoxy-3-fluoro-2-pyridinyl)ethyl]thiourea IUPAC Name: 1-(5-cyanopyridin-2-yl)-3-[1-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea Traditional Name: 1-(5-cyano-2-pyridyl)-3-[1-(4-ethoxy-3-fluoro-2-pyridyl)ethyl]thiourea Formula: C16H16FN5OS MolecularWeight: 345.394543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN5OS/c1-3-23-12-6-7-19-15(14(12)17)10(2)21-16(24)22-13-5-4-11(8-18)9-20-13/h4-7,9-10H,3H2,1-2H3,(H2,20,21,22,24)