ethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(thiophen-2-ylcarbonylamino)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(thiophen-2-ylcarbonylamino)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(3-chloro-4-fluoro-phenyl)-5-(thiophene-2-carbonylamino)triazole-4-carboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)-5-[[oxo(thiophen-2-yl)methyl]amino]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloro-4-fluorophenyl)-5-(thiophene-2-carbonylamino)triazole-4-carboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-(2-thenoylamino)triazole-4-carboxylic acid ethyl ester Formula: C16H12ClFN4O3S MolecularWeight: 394.807883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC(=C(C=C2)F)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC(=C(C=C2)F)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H12ClFN4O3S/c1-2-25-16(24)13-14(19-15(23)12-4-3-7-26-12)22(21-20-13)9-5-6-11(18)10(17)8-9/h3-8H,2H2,1H3,(H,19,23)