N-(3-methylsulfanylphenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(methylthio)phenyl]-3H-phthalazine-1-carboxamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H13N3O2S/c1-22-11-6-4-5-10(9-11)17-16(21)14-12-7-2-3-8-13(12)15(20)19-18-14/h2-9H,1H3,(H,17,21)(H,19,20)