N-(3-methylsulfanylphenyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: 2-[1-keto-4-(2-thienyl)phthalazin-2-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c1-27-15-7-4-6-14(12-15)22-19(25)13-24-21(26)17-9-3-2-8-16(17)20(23-24)18-10-5-11-28-18/h2-12H,13H2,1H3,(H,22,25)