N'-(4-azanyl-6-tert-butyl-5-oxidanylidene-1,2,4-triazin-3-yl)-1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbohydrazide

Systemtic Name: N'-(4-azanyl-6-tert-butyl-5-oxidanylidene-1,2,4-triazin-3-yl)-1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carbohydrazide Openeye Name: N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-1-[2-(4-bromophenyl)-2-oxo-ethyl]pyridin-1-ium-4-carbohydrazide CAS Name: N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-1-[2-(4-bromophenyl)-2-oxoethyl]-4-pyridin-1-iumcarbohydrazide IUPAC Name: N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-1-[2-(4-bromophenyl)-2-oxoethyl]pyridin-1-ium-4-carbohydrazide Traditional Name: N'-(4-amino-6-tert-butyl-5-keto-1,2,4-triazin-3-yl)-1-[2-(4-bromophenyl)-2-keto-ethyl]pyridin-1-ium-4-carbohydrazide Formula: C21H23BrN7O3+ MolecularWeight: 501.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N(C1=O)N)NNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=NN=C(N(C1=O)N)NNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN7O3/c1-21(2,3)17-19(32)29(23)20(26-24-17)27-25-18(31)14-8-10-28(11-9-14)12-16(30)13-4-6-15(22)7-5-13/h4-11,31H,12,23H2,1-3H3/p+1