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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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