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

Systemtic Name: 1-(5-chloranylpyridin-2-yl)-3-[2-(2-cyano-6-fluoranyl-3-methoxy-phenyl)ethyl]thiourea Openeye Name: 1-(5-chloro-2-pyridyl)-3-[2-(2-cyano-6-fluoro-3-methoxy-phenyl)ethyl]thiourea CAS Name: 1-(5-chloro-2-pyridinyl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(5-chloropyridin-2-yl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea Traditional Name: 1-(5-chloro-2-pyridyl)-3-[2-(2-cyano-6-fluoro-3-methoxy-phenyl)ethyl]thiourea Formula: C16H14ClFN4OS MolecularWeight: 364.824963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN4OS/c1-23-14-4-3-13(18)11(12(14)8-19)6-7-20-16(24)22-15-5-2-10(17)9-21-15/h2-5,9H,6-7H2,1H3,(H2,20,21,22,24)