N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H14FN3O2S MolecularWeight: 379.407463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C20H14FN3O2S/c21-13-9-7-12(8-10-13)17(16-6-3-11-27-16)22-20(26)18-14-4-1-2-5-15(14)19(25)24-23-18/h1-11,17H,(H,22,26)(H,24,25)