1-[2,6-bis(chloranyl)-4-ethynyl-phenyl]-4-butyl-1,2,3-triazole

Systemtic Name: 1-[2,6-bis(chloranyl)-4-ethynyl-phenyl]-4-butyl-1,2,3-triazole Openeye Name: 4-butyl-1-(2,6-dichloro-4-ethynyl-phenyl)triazole CAS Name: 4-butyl-1-(2,6-dichloro-4-ethynylphenyl)triazole IUPAC Name: 4-butyl-1-(2,6-dichloro-4-ethynylphenyl)triazole Traditional Name: 4-butyl-1-(2,6-dichloro-4-ethynyl-phenyl)triazole Formula: C14H13Cl2N3 MolecularWeight: 294.17912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(N=N1)C2=C(C=C(C=C2Cl)C#C)Cl

Isomeric SMILES

CCCCC1=CN(N=N1)C2=C(C=C(C=C2Cl)C#C)Cl

InChI

InChI=1S/C14H13Cl2N3/c1-3-5-6-11-9-19(18-17-11)14-12(15)7-10(4-2)8-13(14)16/h2,7-9H,3,5-6H2,1H3