2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C20H20N2O3S/c23-20(22-10-9-17(21-22)15-5-2-1-3-6-15)14-26-16-7-8-18-19(13-16)25-12-4-11-24-18/h1-3,5-8,13H,4,9-12,14H2