methyl 1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-[2-chloranyl-4-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylate CAS Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C17H11ClF3N3O2 MolecularWeight: 381.73635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N3O2/c1-26-16(25)14-22-15(10-5-3-2-4-6-10)24(23-14)13-8-7-11(9-12(13)18)17(19,20)21/h2-9H,1H3