2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,5,6-tetramethylphenyl)ethanone

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,5,6-tetramethylphenyl)ethanone Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,5,6-tetramethylphenyl)ethanone CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-(2,3,5,6-tetramethylphenyl)ethanone IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,5,6-tetramethylphenyl)ethanone Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-(2,3,5,6-tetramethylphenyl)ethanone Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)CSC2=NN=C(N2CCCOC)C3=CC(=C(C=C3)OC)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)CSC2=NN=C(N2CCCOC)C3=CC(=C(C=C3)OC)OC)C)C

InChI

InChI=1S/C26H33N3O4S/c1-16-13-17(2)19(4)24(18(16)3)21(30)15-34-26-28-27-25(29(26)11-8-12-31-5)20-9-10-22(32-6)23(14-20)33-7/h9-10,13-14H,8,11-12,15H2,1-7H3