[2-tert-butyl-4-(1H-1,2,4-triazol-5-ylamino)phenyl] 3,3-dimethylbutanoate

Systemtic Name: [2-tert-butyl-4-(1H-1,2,4-triazol-5-ylamino)phenyl] 3,3-dimethylbutanoate Openeye Name: [2-tert-butyl-4-(1H-1,2,4-triazol-5-ylamino)phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-tert-butyl-4-(1H-1,2,4-triazol-5-ylamino)phenyl] ester IUPAC Name: [2-tert-butyl-4-(1H-1,2,4-triazol-5-ylamino)phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-tert-butyl-4-(1H-1,2,4-triazol-5-ylamino)phenyl] ester Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=NC=NN2)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=NC=NN2)C(C)(C)C

InChI

InChI=1S/C18H26N4O2/c1-17(2,3)10-15(23)24-14-8-7-12(9-13(14)18(4,5)6)21-16-19-11-20-22-16/h7-9,11H,10H2,1-6H3,(H2,19,20,21,22)