N-(3-cyanothiophen-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-cyano-2-thienyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-cyano-2-thiophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-cyanothiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-cyano-2-thienyl)-4-keto-phthalazine-1-carboxamide Formula: C21H14N4O2S MolecularWeight: 386.42646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H14N4O2S/c22-12-15-10-11-28-20(15)23-19(26)18-16-8-4-5-9-17(16)21(27)25(24-18)13-14-6-2-1-3-7-14/h1-11H,13H2,(H,23,26)