4-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)-1-(3,4,5-trimethoxyphenyl)imidazole

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)-1-(3,4,5-trimethoxyphenyl)imidazole Openeye Name: 2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole CAS Name: 4-(3,4-dimethoxyphenyl)-2-(phenylmethylthio)-1-(3,4,5-trimethoxyphenyl)imidazole IUPAC Name: 2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole Traditional Name: 2-(benzylthio)-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC

InChI

InChI=1S/C27H28N2O5S/c1-30-22-12-11-19(13-23(22)31-2)21-16-29(27(28-21)35-17-18-9-7-6-8-10-18)20-14-24(32-3)26(34-5)25(15-20)33-4/h6-16H,17H2,1-5H3