1-(4-tert-butylphenyl)-2-(3-iodanyl-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-(3-iodanyl-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)ethanone Formula: C14H16IN3O MolecularWeight: 369.20081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)I

InChI

InChI=1S/C14H16IN3O/c1-14(2,3)11-6-4-10(5-7-11)12(19)8-18-9-16-13(15)17-18/h4-7,9H,8H2,1-3H3