5-(2-chlorophenyl)-4-ethyl-2-(3-iodanylprop-2-ynyl)-1,2,4-triazol-3-one

Systemtic Name: 5-(2-chlorophenyl)-4-ethyl-2-(3-iodanylprop-2-ynyl)-1,2,4-triazol-3-one Openeye Name: 5-(2-chlorophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one CAS Name: 5-(2-chlorophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one IUPAC Name: 5-(2-chlorophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one Traditional Name: 5-(2-chlorophenyl)-4-ethyl-2-(3-iodoprop-2-ynyl)-1,2,4-triazol-3-one Formula: C13H11ClIN3O MolecularWeight: 387.60341

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)CC#CI)C2=CC=CC=C2Cl

Isomeric SMILES

CCN1C(=NN(C1=O)CC#CI)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H11ClIN3O/c1-2-17-12(10-6-3-4-7-11(10)14)16-18(13(17)19)9-5-8-15/h3-4,6-7H,2,9H2,1H3