N-[2-(4-methylsulfanylphenyl)ethyl]-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=NC=C4

InChI

InChI=1S/C25H24N4O2S/c1-32-20-8-6-18(7-9-20)12-15-27-24(30)17-29-25(31)22-5-3-2-4-21(22)23(28-29)16-19-10-13-26-14-11-19/h2-11,13-14H,12,15-17H2,1H3,(H,27,30)