4-bromanyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-methyl-1,2-thiazol-5-amine

Systemtic Name: 4-bromanyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-methyl-1,2-thiazol-5-amine Openeye Name: 4-bromo-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-methyl-isothiazol-5-amine CAS Name: 4-bromo-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-methyl-5-isothiazolamine IUPAC Name: 4-bromo-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-methyl-1,2-thiazol-5-amine Traditional Name: (4-bromo-3-methyl-isothiazol-5-yl)-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C11H6BrF3N4O4S MolecularWeight: 427.15395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1Br)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NSC(=C1Br)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H6BrF3N4O4S/c1-4-8(12)10(24-17-4)16-9-6(18(20)21)2-5(11(13,14)15)3-7(9)19(22)23/h2-3,16H,1H3