ethyl (3S)-4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl (3S)-4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl (3S)-4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylate CAS Name: (3S)-4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylate Traditional Name: (3S)-4-tert-butyl-2,3-bis(4-chlorophenyl)-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C21H23Cl2N3O2 MolecularWeight: 420.33222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N1C(C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN([C@H](N1C(C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23Cl2N3O2/c1-5-28-20(27)18-24-26(17-12-10-16(23)11-13-17)19(25(18)21(2,3)4)14-6-8-15(22)9-7-14/h6-13,19H,5H2,1-4H3/t19-/m0/s1