ethyl 2-(5-chloranyl-2-nitro-phenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 2-(5-chloranyl-2-nitro-phenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 2-(5-chloro-2-nitro-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 2-(5-chloro-2-nitrophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-2-nitrophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 2-(5-chloro-2-nitro-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C15H11ClN4O4S MolecularWeight: 378.79024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=NC(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C15H11ClN4O4S/c1-2-24-15(21)14-17-13(12-4-3-7-25-12)18-19(14)11-8-9(16)5-6-10(11)20(22)23/h3-8H,2H2,1H3