N-[5-azanyl-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[5-azanyl-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[5-amino-4-[4-(4-bromophenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[5-amino-4-[4-(4-bromophenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[5-amino-4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-amino-3-[4-(4-bromophenyl)thiazol-2-yl]-4-keto-2-pyrrolin-1-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H15BrN6O3S MolecularWeight: 523.3619

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)N)C4=NC(=CS4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C(=O)C(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)N)C4=NC(=CS4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H15BrN6O3S/c23-12-7-5-11(6-8-12)15-10-33-22(25-15)17-16(30)9-29(19(17)24)28-21(32)18-13-3-1-2-4-14(13)20(31)27-26-18/h1-8,10H,9,24H2,(H,27,31)(H,28,32)