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

Systemtic Name: N-[(E)-(4-bromanylthiophen-2-yl)methylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(4-bromo-2-thienyl)methyleneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(4-bromo-2-thiophenyl)methylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(4-bromo-2-thienyl)methyleneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=CS3)Br

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC(=CS3)Br

InChI

InChI=1S/C16H13BrN4O2S/c1-2-21-16(23)13-6-4-3-5-12(13)14(20-21)15(22)19-18-8-11-7-10(17)9-24-11/h3-9H,2H2,1H3,(H,19,22)/b18-8+