1-[[4-[(4-isothiocyanatophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]imidazole

Systemtic Name: 1-[[4-[(4-isothiocyanatophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]imidazole Openeye Name: 1-[[4-[(4-isothiocyanatophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]imidazole CAS Name: 1-[[4-[(4-isothiocyanatophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]imidazole IUPAC Name: 1-[[4-[(4-isothiocyanatophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]imidazole Traditional Name: 1-[[4-[(4-isothiocyanatophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]imidazole Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(OCC(O2)COC3=CC=C(C=C3)N=C=S)CN4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2(OCC(O2)COC3=CC=C(C=C3)N=C=S)CN4C=CN=C4

InChI

InChI=1S/C22H21N3O4S/c1-26-19-6-2-17(3-7-19)22(14-25-11-10-23-15-25)28-13-21(29-22)12-27-20-8-4-18(5-9-20)24-16-30/h2-11,15,21H,12-14H2,1H3