1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]ethanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-23-17(15-6-3-2-4-7-15)13-22-21(23)27-14-18(24)16-8-9-19-20(12-16)26-11-5-10-25-19/h2-4,6-9,12-13H,5,10-11,14H2,1H3