methyl N'-[3-(5-bromanyl-3-methyl-pyridin-2-yl)-3-(4-fluorophenyl)propyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(5-bromanyl-3-methyl-pyridin-2-yl)-3-(4-fluorophenyl)propyl]carbamimidothioate Openeye Name: 3-[3-(5-bromo-3-methyl-2-pyridyl)-3-(4-fluorophenyl)propyl]-2-methyl-isothiourea CAS Name: N'-[3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(5-bromo-3-methylpyridin-2-yl)-3-(4-fluorophenyl)propyl]carbamimidothioate Traditional Name: 3-[3-(5-bromo-3-methyl-2-pyridyl)-3-(4-fluorophenyl)propyl]-2-methyl-isothiourea Formula: C17H19BrFN3S MolecularWeight: 396.320263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1C(CCN=C(N)SC)C2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=CC(=CN=C1C(CCN=C(N)SC)C2=CC=C(C=C2)F)Br

InChI

InChI=1S/C17H19BrFN3S/c1-11-9-13(18)10-22-16(11)15(7-8-21-17(20)23-2)12-3-5-14(19)6-4-12/h3-6,9-10,15H,7-8H2,1-2H3,(H2,20,21)