[3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-1,2,3-triazol-4-yl]methyl-diethyl-azanium

Systemtic Name: [3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]-1,2,3-triazol-4-yl]methyl-diethyl-azanium Openeye Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]triazol-4-yl]methyl-diethyl-ammonium CAS Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-oxomethyl]-4-triazolyl]methyl-diethylammonium IUPAC Name: [3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]triazol-4-yl]methyl-diethylazanium Traditional Name: [3-(4-aminofurazan-3-yl)-5-[[(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]triazol-4-yl]methyl-diethyl-ammonium Formula: C19H25BrN9O4+ MolecularWeight: 523.3637

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NNC=C3C=C(C(=O)C(=C3)Br)OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NNC=C3C=C(C(=O)C(=C3)Br)OCC

InChI

InChI=1S/C19H24BrN9O4/c1-4-28(5-2)10-13-15(23-27-29(13)18-17(21)25-33-26-18)19(31)24-22-9-11-7-12(20)16(30)14(8-11)32-6-3/h7-9,22H,4-6,10H2,1-3H3,(H2,21,25)(H,24,31)/p+1