1-(5-bromanylpyridin-2-yl)-3-[2-[2-(cyanomethoxy)-5-methoxy-phenyl]ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-[2-(cyanomethoxy)-5-methoxy-phenyl]ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-[2-(cyanomethoxy)-5-methoxy-phenyl]ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-[2-(cyanomethoxy)-5-methoxyphenyl]ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-[2-(cyanomethoxy)-5-methoxyphenyl]ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-[2-(cyanomethoxy)-5-methoxy-phenyl]ethyl]thiourea Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC#N)CCNC(=S)NC2=NC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OCC#N)CCNC(=S)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN4O2S/c1-23-14-3-4-15(24-9-7-19)12(10-14)6-8-20-17(25)22-16-5-2-13(18)11-21-16/h2-5,10-11H,6,8-9H2,1H3,(H2,20,21,22,25)