2-[(3-iodanyl-4-isothiocyanato-phenyl)methyl]-4,5-dihydro-1H-imidazole

Systemtic Name: 2-[(3-iodanyl-4-isothiocyanato-phenyl)methyl]-4,5-dihydro-1H-imidazole Openeye Name: 2-[(3-iodo-4-isothiocyanato-phenyl)methyl]-4,5-dihydro-1H-imidazole CAS Name: 2-[(3-iodo-4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole IUPAC Name: 2-[(3-iodo-4-isothiocyanatophenyl)methyl]-4,5-dihydro-1H-imidazole Traditional Name: 2-(3-iodo-4-isothiocyanato-benzyl)-2-imidazoline Formula: C11H10IN3S MolecularWeight: 343.18667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)CC2=CC(=C(C=C2)N=C=S)I

Isomeric SMILES

C1CN=C(N1)CC2=CC(=C(C=C2)N=C=S)I

InChI

InChI=1S/C11H10IN3S/c12-9-5-8(1-2-10(9)15-7-16)6-11-13-3-4-14-11/h1-2,5H,3-4,6H2,(H,13,14)