1-[4-(2-iodanyl-4-methyl-phenoxy)butyl]-1,2,4-triazole

Systemtic Name: 1-[4-(2-iodanyl-4-methyl-phenoxy)butyl]-1,2,4-triazole Openeye Name: 1-[4-(2-iodo-4-methyl-phenoxy)butyl]-1,2,4-triazole CAS Name: 1-[4-(2-iodo-4-methylphenoxy)butyl]-1,2,4-triazole IUPAC Name: 1-[4-(2-iodo-4-methylphenoxy)butyl]-1,2,4-triazole Traditional Name: 1-[4-(2-iodo-4-methyl-phenoxy)butyl]-1,2,4-triazole Formula: C13H16IN3O MolecularWeight: 357.19011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2C=NC=N2)I

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2C=NC=N2)I

InChI

InChI=1S/C13H16IN3O/c1-11-4-5-13(12(14)8-11)18-7-3-2-6-17-10-15-9-16-17/h4-5,8-10H,2-3,6-7H2,1H3