5-methyl-4-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-4-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide Openeye Name: 5-methyl-4-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide CAS Name: 5-methyl-4-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-4-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide Traditional Name: 5-methyl-4-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide Formula: C9H6F3N5O3S MolecularWeight: 321.23585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC2=NNC(=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC2=NNC(=N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H6F3N5O3S/c1-3-4(17(19)20)2-5(21-3)6(18)13-8-14-7(15-16-8)9(10,11)12/h2H,1H3,(H2,13,14,15,16,18)