[4-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]imidazol-1-yl]sulfinyl-phenyl-methanamine

Systemtic Name: [4-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]imidazol-1-yl]sulfinyl-phenyl-methanamine Openeye Name: [4-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]imidazol-1-yl]sulfinyl-phenyl-methanamine CAS Name: [4-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1-imidazolyl]sulfinyl-phenylmethanamine IUPAC Name: [4-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]imidazol-1-yl]sulfinyl-phenylmethanamine Traditional Name: [[4-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]imidazol-1-yl]sulfinyl-phenyl-methyl]amine Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)CCC2=CC(=C(C(=C2)OC)OC)OC)S(=O)C(C3=CC=CC=C3)N

Isomeric SMILES

CC1=CN(C(=N1)CCC2=CC(=C(C(=C2)OC)OC)OC)S(=O)C(C3=CC=CC=C3)N

InChI

InChI=1S/C22H27N3O4S/c1-15-14-25(30(26)22(23)17-8-6-5-7-9-17)20(24-15)11-10-16-12-18(27-2)21(29-4)19(13-16)28-3/h5-9,12-14,22H,10-11,23H2,1-4H3