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

Systemtic Name: methyl N-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butylamino]-N'-cyano-carbamimidothioate Openeye Name: 1-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-3-cyano-2-methyl-isothiourea CAS Name: N-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-N'-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-N'-cyanocarbamimidothioate Traditional Name: 1-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-3-cyano-2-methyl-isothiourea Formula: C13H18BrN5S MolecularWeight: 356.28452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNNC(=NC#N)SC)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNNC(=NC#N)SC)Br

InChI

InChI=1S/C13H18BrN5S/c1-10-7-11(14)8-16-12(10)5-3-4-6-18-19-13(20-2)17-9-15/h7-8,18H,3-6H2,1-2H3,(H,17,19)