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

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=C(C=C3)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O2S/c22-13-5-9-15(10-6-13)28-16-11-7-14(8-12-16)23-21(27)19-17-3-1-2-4-18(17)20(26)25-24-19/h1-12H,(H,23,27)(H,25,26)