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

Systemtic Name: 1-[2-(4-chlorophenyl)-2-(isocyanomethyl)hexyl]-1,2,4-triazole Openeye Name: 1-[2-(4-chlorophenyl)-2-(isocyanomethyl)hexyl]-1,2,4-triazole CAS Name: 1-[2-(4-chlorophenyl)-2-(isocyanomethyl)hexyl]-1,2,4-triazole IUPAC Name: 1-[2-(4-chlorophenyl)-2-(isocyanomethyl)hexyl]-1,2,4-triazole Traditional Name: 1-[2-(4-chlorophenyl)-2-(isocyanomethyl)hexyl]-1,2,4-triazole Formula: C16H19ClN4 MolecularWeight: 302.80186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4/c1-3-4-9-16(10-18-2,11-21-13-19-12-20-21)14-5-7-15(17)8-6-14/h5-8,12-13H,3-4,9-11H2,1H3