N-(3-methylsulfanylphenyl)-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2S/c1-30-18-6-4-5-17(14-18)25-22(28)15-27-23(29)20-8-3-2-7-19(20)21(26-27)13-16-9-11-24-12-10-16/h2-12,14H,13,15H2,1H3,(H,25,28)