N4-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1-oxidanylidene-N3-(phenylmethyl)-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N4-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1-oxidanylidene-N3-(phenylmethyl)-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-benzyl-N4-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: N4-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-1-oxo-N3-(phenylmethyl)-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-benzyl-4-N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine Traditional Name: benzyl-[4-[4-(5-bromo-3-methyl-2-pyridyl)butylamino]-1-keto-1,2,5-thiadiazol-3-yl]amine Formula: C19H22BrN5OS MolecularWeight: 448.37988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1CCCCNC2=NS(=O)N=C2NCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=CN=C1CCCCNC2=NS(=O)N=C2NCC3=CC=CC=C3)Br

InChI

InChI=1S/C19H22BrN5OS/c1-14-11-16(20)13-22-17(14)9-5-6-10-21-18-19(25-27(26)24-18)23-12-15-7-3-2-4-8-15/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,21,24)(H,23,25)