ethyl 5-azanyl-3-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C12H11F3N6O2S2 MolecularWeight: 392.37995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C12H11F3N6O2S2/c1-2-23-9(22)7-6(5(3-16)8(17)25-7)4-24-11-20-19-10(21(11)18)12(13,14)15/h2,4,17-18H2,1H3