1-[4-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)sulfanyl-butyl]imidazole

Systemtic Name: 1-[4-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)sulfanyl-butyl]imidazole Openeye Name: 1-[4-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)sulfanyl-butyl]imidazole CAS Name: 1-[4-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)thio]butyl]imidazole IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)sulfanylbutyl]imidazole Traditional Name: 1-[4-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)thio]butyl]imidazole Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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