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

Systemtic Name: 3-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[3-(methylthio)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-keto-N-[3-(methylthio)phenyl]phthalazine-1-carboxamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O2S/c1-29-17-6-4-5-15(13-17)24-21(27)20-18-7-2-3-8-19(18)22(28)26(25-20)16-11-9-14(23)10-12-16/h2-13H,1H3,(H,24,27)