1-[2-(4-chlorophenyl)-2-isocyano-hexyl]-1,2,4-triazole

Systemtic Name: 1-[2-(4-chlorophenyl)-2-isocyano-hexyl]-1,2,4-triazole Openeye Name: 1-[2-(4-chlorophenyl)-2-isocyano-hexyl]-1,2,4-triazole CAS Name: 1-[2-(4-chlorophenyl)-2-isocyanohexyl]-1,2,4-triazole IUPAC Name: 1-[2-(4-chlorophenyl)-2-isocyanohexyl]-1,2,4-triazole Traditional Name: 1-[2-(4-chlorophenyl)-2-isocyano-hexyl]-1,2,4-triazole Formula: C15H17ClN4 MolecularWeight: 288.77528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)[N+]#[C-]

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)[N+]#[C-]

InChI

InChI=1S/C15H17ClN4/c1-3-4-9-15(17-2,10-20-12-18-11-19-20)13-5-7-14(16)8-6-13/h5-8,11-12H,3-4,9-10H2,1H3