N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(5-bromo-2-thienyl)methyleneamino]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(5-bromo-2-thiophenyl)methylideneamino]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(5-bromo-2-thienyl)methyleneamino]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(S3)Br

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(S3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-2-3-10-23-18(25)14-7-5-4-6-13(14)16(22-23)17(24)21-20-11-12-8-9-15(19)26-12/h4-9,11H,2-3,10H2,1H3,(H,21,24)/b20-11+