2-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-yl)pyrazol-3-olate

Systemtic Name: 2-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-yl)pyrazol-3-olate Openeye Name: 2-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-yl)pyrazol-3-olate CAS Name: 2-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-yl)-3-pyrazololate IUPAC Name: 2-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-yl)pyrazol-3-olate Traditional Name: 2-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-yl)pyrazol-3-olate Formula: C15H16N5O- MolecularWeight: 282.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C=N2)N3C=NC=N3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=C(C=N2)N3C=NC=N3)[O-]

InChI

InChI=1S/C15H17N5O/c1-15(2,3)11-4-6-12(7-5-11)20-14(21)13(8-17-20)19-10-16-9-18-19/h4-10,21H,1-3H3/p-1