3-tert-butyl-5-isocyanato-1-phenyl-pyrazole

Systemtic Name: 3-tert-butyl-5-isocyanato-1-phenyl-pyrazole Openeye Name: 3-tert-butyl-5-isocyanato-1-phenyl-pyrazole CAS Name: 3-tert-butyl-5-isocyanato-1-phenylpyrazole IUPAC Name: 3-tert-butyl-5-isocyanato-1-phenylpyrazole Traditional Name: 3-tert-butyl-5-isocyanato-1-phenyl-pyrazole Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)N=C=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)N=C=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O/c1-14(2,3)12-9-13(15-10-18)17(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3