4-oxidanylidene-3-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[2-(2-thienylmethyl)pyrazol-3-yl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[2-(2-thenyl)pyrazol-3-yl]phthalazine-1-carboxamide Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=NN4CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=NN4CC5=CC=CS5

InChI

InChI=1S/C23H17N5O2S/c29-22(25-20-12-13-24-27(20)15-17-9-6-14-31-17)21-18-10-4-5-11-19(18)23(30)28(26-21)16-7-2-1-3-8-16/h1-14H,15H2,(H,25,29)