ethyl 1-[3,5-bis(chloranyl)phenyl]-5-pyridin-2-ylsulfanyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[3,5-bis(chloranyl)phenyl]-5-pyridin-2-ylsulfanyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(3,5-dichlorophenyl)-5-(2-pyridylsulfanyl)triazole-4-carboxylate CAS Name: 1-(3,5-dichlorophenyl)-5-(2-pyridinylthio)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,5-dichlorophenyl)-5-pyridin-2-ylsulfanyltriazole-4-carboxylate Traditional Name: 1-(3,5-dichlorophenyl)-5-(2-pyridylthio)triazole-4-carboxylic acid ethyl ester Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC(=CC(=C2)Cl)Cl)SC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC(=CC(=C2)Cl)Cl)SC3=CC=CC=N3

InChI

InChI=1S/C16H12Cl2N4O2S/c1-2-24-16(23)14-15(25-13-5-3-4-6-19-13)22(21-20-14)12-8-10(17)7-11(18)9-12/h3-9H,2H2,1H3