N-(2-methylsulfanylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(2-methylsulfanylphenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(methylthio)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(methylthio)phenyl]phthalazine-1-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H23N3O2S/c1-3-4-9-14-24-21(26)16-11-6-5-10-15(16)19(23-24)20(25)22-17-12-7-8-13-18(17)27-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,22,25)