1-[2,4-bis(chloranyl)-5-prop-2-ynoxy-phenyl]-4-propyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2,4-bis(chloranyl)-5-prop-2-ynoxy-phenyl]-4-propyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-(2,4-dichloro-5-prop-2-ynoxy-phenyl)-4-propyl-tetrazol-5-one CAS Name: 1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-4-propyl-5-tetrazolone IUPAC Name: 1-(2,4-dichloro-5-prop-2-ynoxyphenyl)-4-propyltetrazol-5-one Traditional Name: 1-(2,4-dichloro-5-propargyloxy-phenyl)-4-propyl-tetrazol-5-one Formula: C13H12Cl2N4O2 MolecularWeight: 327.16598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)N(N=N1)C2=CC(=C(C=C2Cl)Cl)OCC#C

Isomeric SMILES

CCCN1C(=O)N(N=N1)C2=CC(=C(C=C2Cl)Cl)OCC#C

InChI

InChI=1S/C13H12Cl2N4O2/c1-3-5-18-13(20)19(17-16-18)11-8-12(21-6-4-2)10(15)7-9(11)14/h2,7-8H,3,5-6H2,1H3