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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C25H20N2O3S MolecularWeight: 428.5029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OC1

InChI

InChI=1S/C25H20N2O3S/c28-21(18-11-12-22-23(15-18)30-14-6-13-29-22)16-31-25-20-10-5-4-9-19(20)24(26-27-25)17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2