N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-chroman-4-yl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-chroman-4-yl-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c29-23(26-21-14-15-30-22-13-7-6-12-20(21)22)16-31-25-19-11-5-4-10-18(19)24(27-28-25)17-8-2-1-3-9-17/h1-13,21H,14-16H2,(H,26,29)