N-(3-cyanothiophen-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C21H14N4OS2 MolecularWeight: 402.49206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H14N4OS2/c22-12-15-10-11-27-20(15)23-18(26)13-28-21-17-9-5-4-8-16(17)19(24-25-21)14-6-2-1-3-7-14/h1-11H,13H2,(H,23,26)