[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [2-(3-pyridinylmethylthio)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [2-(3-pyridylmethylthio)-2-imidazolin-1-yl]-(3,4,5-triethoxyphenyl)methanone Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN=C2SCC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN=C2SCC3=CN=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-4-27-18-12-17(13-19(28-5-2)20(18)29-6-3)21(26)25-11-10-24-22(25)30-15-16-8-7-9-23-14-16/h7-9,12-14H,4-6,10-11,15H2,1-3H3