5-tert-butyl-2-(3-iodanylprop-2-ynyl)-4-phenyl-1,2,4-triazol-3-one

Systemtic Name: 5-tert-butyl-2-(3-iodanylprop-2-ynyl)-4-phenyl-1,2,4-triazol-3-one Openeye Name: 5-tert-butyl-2-(3-iodoprop-2-ynyl)-4-phenyl-1,2,4-triazol-3-one CAS Name: 5-tert-butyl-2-(3-iodoprop-2-ynyl)-4-phenyl-1,2,4-triazol-3-one IUPAC Name: 5-tert-butyl-2-(3-iodoprop-2-ynyl)-4-phenyl-1,2,4-triazol-3-one Traditional Name: 5-tert-butyl-2-(3-iodoprop-2-ynyl)-4-phenyl-1,2,4-triazol-3-one Formula: C15H16IN3O MolecularWeight: 381.21151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)N1C2=CC=CC=C2)CC#CI

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)N1C2=CC=CC=C2)CC#CI

InChI

InChI=1S/C15H16IN3O/c1-15(2,3)13-17-18(11-7-10-16)14(20)19(13)12-8-5-4-6-9-12/h4-6,8-9H,11H2,1-3H3