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

Systemtic Name: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [2-(3-pyridinylmethylthio)-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [2-(3-pyridylmethylthio)-2-imidazolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2SCC3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2SCC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O4S/c1-24-15-9-14(10-16(25-2)17(15)26-3)18(23)22-8-7-21-19(22)27-12-13-5-4-6-20-11-13/h4-6,9-11H,7-8,12H2,1-3H3