1-[4-(4-chlorophenyl)-2-(2,6-dimethoxyphenyl)sulfanyl-butyl]imidazole

Systemtic Name: 1-[4-(4-chlorophenyl)-2-(2,6-dimethoxyphenyl)sulfanyl-butyl]imidazole Openeye Name: 1-[4-(4-chlorophenyl)-2-(2,6-dimethoxyphenyl)sulfanyl-butyl]imidazole CAS Name: 1-[4-(4-chlorophenyl)-2-[(2,6-dimethoxyphenyl)thio]butyl]imidazole IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dimethoxyphenyl)sulfanylbutyl]imidazole Traditional Name: 1-[4-(4-chlorophenyl)-2-[(2,6-dimethoxyphenyl)thio]butyl]imidazole Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C21H23ClN2O2S/c1-25-19-4-3-5-20(26-2)21(19)27-18(14-24-13-12-23-15-24)11-8-16-6-9-17(22)10-7-16/h3-7,9-10,12-13,15,18H,8,11,14H2,1-2H3