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

Systemtic Name: 4-butyl-2-(3-iodanylprop-2-ynyl)-5-(4-methylphenyl)-1,2,4-triazol-3-one Openeye Name: 4-butyl-2-(3-iodoprop-2-ynyl)-5-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 4-butyl-2-(3-iodoprop-2-ynyl)-5-(4-methylphenyl)-1,2,4-triazol-3-one IUPAC Name: 4-butyl-2-(3-iodoprop-2-ynyl)-5-(4-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 4-butyl-2-(3-iodoprop-2-ynyl)-5-(p-tolyl)-1,2,4-triazol-3-one Formula: C16H18IN3O MolecularWeight: 395.23809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=O)CC#CI)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCN1C(=NN(C1=O)CC#CI)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H18IN3O/c1-3-4-11-19-15(14-8-6-13(2)7-9-14)18-20(16(19)21)12-5-10-17/h6-9H,3-4,11-12H2,1-2H3