methyl 2-[(4-fluoranyl-2,6-dinitro-phenyl)amino]-N-propyl-propanimidothioate hydrobromide

Systemtic Name: methyl 2-[(4-fluoranyl-2,6-dinitro-phenyl)amino]-N-propyl-propanimidothioate hydrobromide Openeye Name: methyl 2-(4-fluoro-2,6-dinitro-anilino)-N-propyl-propanimidothioate hydrobromide CAS Name: 2-(4-fluoro-2,6-dinitroanilino)-N-propylpropanimidothioic acid methyl ester hydrobromide IUPAC Name: methyl 2-(4-fluoro-2,6-dinitroanilino)-N-propylpropanimidothioate hydrobromide Traditional Name: 2-(4-fluoro-2,6-dinitro-anilino)-N-propyl-thiopropionimidic acid methyl ester hydrobromide Formula: C13H18BrFN4O4S MolecularWeight: 425.273823

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])F)[N+](=O)[O-])SC.Br

Isomeric SMILES

CCCN=C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])F)[N+](=O)[O-])SC.Br

InChI

InChI=1S/C13H17FN4O4S.BrH/c1-4-5-15-13(23-3)8(2)16-12-10(17(19)20)6-9(14)7-11(12)18(21)22;/h6-8,16H,4-5H2,1-3H3;1H