N-[(E)-(4-bromanylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(4-bromanylthiophen-2-yl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-bromo-2-thienyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-bromo-2-thiophenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-(4-bromo-2-thienyl)methyleneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=CS3)Br

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC(=CS3)Br

InChI

InChI=1S/C17H15BrN4O2S/c1-2-7-22-17(24)14-6-4-3-5-13(14)15(21-22)16(23)20-19-9-12-8-11(18)10-25-12/h3-6,8-10H,2,7H2,1H3,(H,20,23)/b19-9+