1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC=CN3CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC=CN3CC4=CC=CC=C4)OC1

InChI

InChI=1S/C21H20N2O3S/c24-18(17-7-8-19-20(13-17)26-12-4-11-25-19)15-27-21-22-9-10-23(21)14-16-5-2-1-3-6-16/h1-3,5-10,13H,4,11-12,14-15H2