ethanoic acid; N-(4-oxidanylidene-1H-phthalazin-1-yl)ethanethioamide

Systemtic Name: ethanoic acid; N-(4-oxidanylidene-1H-phthalazin-1-yl)ethanethioamide Openeye Name: acetic acid; N-(4-oxo-1H-phthalazin-1-yl)thioacetamide CAS Name: acetic acid; N-(4-oxo-1H-phthalazin-1-yl)ethanethioamide IUPAC Name: acetic acid; N-(4-oxo-1H-phthalazin-1-yl)ethanethioamide Traditional Name: acetic acid; N-(4-keto-1H-phthalazin-1-yl)thioacetamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1C2=CC=CC=C2C(=O)N=N1.CC(=O)O

Isomeric SMILES

CC(=S)NC1C2=CC=CC=C2C(=O)N=N1.CC(=O)O

InChI

InChI=1S/C10H9N3OS.C2H4O2/c1-6(15)11-9-7-4-2-3-5-8(7)10(14)13-12-9;1-2(3)4/h2-5,9H,1H3,(H,11,15);1H3,(H,3,4)