N-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H14ClN3O2S MolecularWeight: 407.87276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O2S/c22-13-9-11-14(12-10-13)28-18-8-4-3-7-17(18)23-21(27)19-15-5-1-2-6-16(15)20(26)25-24-19/h1-12H,(H,23,27)(H,25,26)