1-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]ethanone Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=CN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=CN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N2O3S/c24-18(15-6-9-19-20(10-15)26-13-25-19)12-27-21-22-11-17(23(21)16-7-8-16)14-4-2-1-3-5-14/h1-6,9-11,16H,7-8,12-13H2