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

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N,3-dimethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N,3-dimethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N,3-dimethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-4-keto-N,3-dimethyl-phthalazine-1-carboxamide Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(S3)Br

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H14BrN3O2S/c1-19(9-10-7-8-13(17)23-10)16(22)14-11-5-3-4-6-12(11)15(21)20(2)18-14/h3-8H,9H2,1-2H3