N-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N-ethyl-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H18BrN3O2S/c1-2-25(14-16-12-13-19(23)29-16)22(28)20-17-10-6-7-11-18(17)21(27)26(24-20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3