2-[2,4-bis(chloranyl)-5-prop-2-ynoxy-phenyl]-5-but-3-enyl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[2,4-bis(chloranyl)-5-prop-2-ynoxy-phenyl]-5-but-3-enyl-1H-1,2,4-triazol-3-one Openeye Name: 5-but-3-enyl-2-(2,4-dichloro-5-prop-2-ynoxy-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-but-3-enyl-2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-but-3-enyl-2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-but-3-enyl-2-(2,4-dichloro-5-propargyloxy-phenyl)-1H-1,2,4-triazol-3-one Formula: C15H13Cl2N3O2 MolecularWeight: 338.18862

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=NC(=O)N(N1)C2=CC(=C(C=C2Cl)Cl)OCC#C

Isomeric SMILES

C=CCCC1=NC(=O)N(N1)C2=CC(=C(C=C2Cl)Cl)OCC#C

InChI

InChI=1S/C15H13Cl2N3O2/c1-3-5-6-14-18-15(21)20(19-14)12-9-13(22-7-4-2)11(17)8-10(12)16/h2-3,8-9H,1,5-7H2,(H,18,19,21)