5-tert-butyl-3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-isoxazole IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-4H-1,2-oxazole Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-2-isoxazoline Formula: C16H19ClN4O MolecularWeight: 318.80126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NO1)C2=CC=C(C=C2)Cl)CN3C=NC=N3

Isomeric SMILES

CC(C)(C)C1(CC(=NO1)C2=CC=C(C=C2)Cl)CN3C=NC=N3

InChI

InChI=1S/C16H19ClN4O/c1-15(2,3)16(9-21-11-18-10-19-21)8-14(20-22-16)12-4-6-13(17)7-5-12/h4-7,10-11H,8-9H2,1-3H3