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

Systemtic Name: N3-[4-[(5-bromanyl-3-methyl-pyridin-2-yl)amino]butyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[4-[(5-bromo-3-methyl-2-pyridyl)amino]butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[4-[(5-bromo-3-methyl-2-pyridinyl)amino]butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[4-[(5-bromo-3-methylpyridin-2-yl)amino]butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine Traditional Name: (4-amino-1-keto-1,2,5-thiadiazol-3-yl)-[4-[(5-bromo-3-methyl-2-pyridyl)amino]butyl]amine Formula: C12H17BrN6OS MolecularWeight: 373.27198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1NCCCCNC2=NS(=O)N=C2N)Br

Isomeric SMILES

CC1=CC(=CN=C1NCCCCNC2=NS(=O)N=C2N)Br

InChI

InChI=1S/C12H17BrN6OS/c1-8-6-9(13)7-17-11(8)15-4-2-3-5-16-12-10(14)18-21(20)19-12/h6-7H,2-5H2,1H3,(H2,14,18)(H,15,17)(H,16,19)