methyl N-(5-bromanylpyridin-2-yl)-N'-[2-(2-chlorophenyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-(5-bromanylpyridin-2-yl)-N'-[2-(2-chlorophenyl)ethyl]carbamimidothioate Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-chlorophenyl)ethyl]-2-methyl-isothiourea CAS Name: N-(5-bromo-2-pyridinyl)-N'-[2-(2-chlorophenyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(5-bromopyridin-2-yl)-N'-[2-(2-chlorophenyl)ethyl]carbamimidothioate Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-chlorophenyl)ethyl]-2-methyl-isothiourea Formula: C15H15BrClN3S MolecularWeight: 384.7217

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=CC=C1Cl)NC2=NC=C(C=C2)Br

Isomeric SMILES

CSC(=NCCC1=CC=CC=C1Cl)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C15H15BrClN3S/c1-21-15(20-14-7-6-12(16)10-19-14)18-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3,(H,18,19,20)