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

Systemtic Name: N4-[4-(5-bromanyl-3-methyl-pyridin-2-yl)butyl]-1-oxidanylidene-N3-(pyridin-3-ylmethyl)-1,2,5-thiadiazole-3,4-diamine Openeye Name: N4-[4-(5-bromo-3-methyl-2-pyridyl)butyl]-1-oxo-N3-(3-pyridylmethyl)-1,2,5-thiadiazole-3,4-diamine CAS Name: N4-[4-(5-bromo-3-methyl-2-pyridinyl)butyl]-1-oxo-N3-(3-pyridinylmethyl)-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 4-N-[4-(5-bromo-3-methylpyridin-2-yl)butyl]-1-oxo-3-N-(pyridin-3-ylmethyl)-1,2,5-thiadiazole-3,4-diamine Traditional Name: 4-(5-bromo-3-methyl-2-pyridyl)butyl-[1-keto-4-(3-pyridylmethylamino)-1,2,5-thiadiazol-3-yl]amine Formula: C18H21BrN6OS MolecularWeight: 449.36794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN6OS/c1-13-9-15(19)12-22-16(13)6-2-3-8-21-17-18(25-27(26)24-17)23-11-14-5-4-7-20-10-14/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,21,24)(H,23,25)