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

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(methylthio)phenyl]-3-phenyl-phthalazine-1-carboxamide Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O2S/c1-28-17-11-7-8-15(14-17)23-21(26)20-18-12-5-6-13-19(18)22(27)25(24-20)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26)