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

Systemtic Name: N4-[4-(3-azanyl-5-bromanyl-pyridin-2-yl)butyl]-1-oxidanylidene-N3-(pyridin-4-ylmethyl)-1,2,5-thiadiazole-3,4-diamine Openeye Name: N4-[4-(3-amino-5-bromo-2-pyridyl)butyl]-1-oxo-N3-(4-pyridylmethyl)-1,2,5-thiadiazole-3,4-diamine CAS Name: N4-[4-(3-amino-5-bromo-2-pyridinyl)butyl]-1-oxo-N3-(pyridin-4-ylmethyl)-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 4-N-[4-(3-amino-5-bromopyridin-2-yl)butyl]-1-oxo-3-N-(pyridin-4-ylmethyl)-1,2,5-thiadiazole-3,4-diamine Traditional Name: 4-(3-amino-5-bromo-2-pyridyl)butyl-[1-keto-4-(4-pyridylmethylamino)-1,2,5-thiadiazol-3-yl]amine Formula: C17H20BrN7OS MolecularWeight: 450.356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC2=NS(=O)N=C2NCCCCC3=NC=C(C=C3N)Br

Isomeric SMILES

C1=CN=CC=C1CNC2=NS(=O)N=C2NCCCCC3=NC=C(C=C3N)Br

InChI

InChI=1S/C17H20BrN7OS/c18-13-9-14(19)15(22-11-13)3-1-2-6-21-16-17(25-27(26)24-16)23-10-12-4-7-20-8-5-12/h4-5,7-9,11H,1-3,6,10,19H2,(H,21,24)(H,23,25)