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

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H14BrN5O2S MolecularWeight: 444.30506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C18H14BrN5O2S/c1-23-18(26)14-5-3-2-4-13(14)16(22-23)17(25)21-15-6-7-20-24(15)9-12-8-11(19)10-27-12/h2-8,10H,9H2,1H3,(H,21,25)