2-(3-iodanylprop-2-ynyl)-5-(4-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-(3-iodanylprop-2-ynyl)-5-(4-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-one Openeye Name: 2-(3-iodoprop-2-ynyl)-4-isopropyl-5-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 2-(3-iodoprop-2-ynyl)-5-(4-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-(3-iodoprop-2-ynyl)-5-(4-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-one Traditional Name: 2-(3-iodoprop-2-ynyl)-4-isopropyl-5-(p-tolyl)-1,2,4-triazol-3-one Formula: C15H16IN3O MolecularWeight: 381.21151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)N2C(C)C)CC#CI

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)N2C(C)C)CC#CI

InChI

InChI=1S/C15H16IN3O/c1-11(2)19-14(13-7-5-12(3)6-8-13)17-18(15(19)20)10-4-9-16/h5-8,11H,10H2,1-3H3