1-[2-(2-ethyl-4-methoxy-phenyl)-3-iodanyl-propyl]-1,2,4-triazole

Systemtic Name: 1-[2-(2-ethyl-4-methoxy-phenyl)-3-iodanyl-propyl]-1,2,4-triazole Openeye Name: 1-[2-(2-ethyl-4-methoxy-phenyl)-3-iodo-propyl]-1,2,4-triazole CAS Name: 1-[2-(2-ethyl-4-methoxyphenyl)-3-iodopropyl]-1,2,4-triazole IUPAC Name: 1-[2-(2-ethyl-4-methoxyphenyl)-3-iodopropyl]-1,2,4-triazole Traditional Name: 1-[2-(2-ethyl-4-methoxy-phenyl)-3-iodo-propyl]-1,2,4-triazole Formula: C14H18IN3O MolecularWeight: 371.21669

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC)C(CN2C=NC=N2)CI

Isomeric SMILES

CCC1=C(C=CC(=C1)OC)C(CN2C=NC=N2)CI

InChI

InChI=1S/C14H18IN3O/c1-3-11-6-13(19-2)4-5-14(11)12(7-15)8-18-10-16-9-17-18/h4-6,9-10,12H,3,7-8H2,1-2H3