ethyl 5,5-diphenyl-3-(trichloromethyl)-3H-1,2,4-triazole-4-carboxylate

Systemtic Name: ethyl 5,5-diphenyl-3-(trichloromethyl)-3H-1,2,4-triazole-4-carboxylate Openeye Name: ethyl 5,5-diphenyl-3-(trichloromethyl)-3H-1,2,4-triazole-4-carboxylate CAS Name: 5,5-diphenyl-3-(trichloromethyl)-3H-1,2,4-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-diphenyl-3-(trichloromethyl)-3H-1,2,4-triazole-4-carboxylate Traditional Name: 5,5-diphenyl-3-(trichloromethyl)-3H-1,2,4-triazole-4-carboxylic acid ethyl ester Formula: C18H16Cl3N3O2 MolecularWeight: 412.69754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(N=NC1(C2=CC=CC=C2)C3=CC=CC=C3)C(Cl)(Cl)Cl

Isomeric SMILES

CCOC(=O)N1C(N=NC1(C2=CC=CC=C2)C3=CC=CC=C3)C(Cl)(Cl)Cl

InChI

InChI=1S/C18H16Cl3N3O2/c1-2-26-16(25)24-15(18(19,20)21)22-23-17(24,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3