(4-tert-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H22ClN3O2/c1-5-27-20-23-18(15-7-6-8-17(22)13-15)25(24-20)19(26)14-9-11-16(12-10-14)21(2,3)4/h6-13H,5H2,1-4H3