N-(5-chloranyl-2-phenylsulfanyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-phenylsulfanyl-phenyl)-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(5-chloro-2-phenylsulfanyl-phenyl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-(phenylthio)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(5-chloro-2-phenylsulfanylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-chloro-2-(phenylthio)phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

InChI

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