1-[3-iodanyl-2-(4-methylphenyl)propyl]-1,2,4-triazole

Systemtic Name: 1-[3-iodanyl-2-(4-methylphenyl)propyl]-1,2,4-triazole Openeye Name: 1-[3-iodo-2-(p-tolyl)propyl]-1,2,4-triazole CAS Name: 1-[3-iodo-2-(4-methylphenyl)propyl]-1,2,4-triazole IUPAC Name: 1-[3-iodo-2-(4-methylphenyl)propyl]-1,2,4-triazole Traditional Name: 1-[3-iodo-2-(p-tolyl)propyl]-1,2,4-triazole Formula: C12H14IN3 MolecularWeight: 327.16413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2C=NC=N2)CI

Isomeric SMILES

CC1=CC=C(C=C1)C(CN2C=NC=N2)CI

InChI

InChI=1S/C12H14IN3/c1-10-2-4-11(5-3-10)12(6-13)7-16-9-14-8-15-16/h2-5,8-9,12H,6-7H2,1H3