4-oxidanylidene-3-pentyl-N-[(Z)-1-thiophen-2-ylethylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[(Z)-1-thiophen-2-ylethylideneamino]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[(Z)-1-(2-thienyl)ethylideneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[(Z)-1-thiophen-2-ylethylideneamino]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(Z)-1-(2-thienyl)ethylideneamino]phthalazine-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=CS3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=CC=CS3

InChI

InChI=1S/C20H22N4O2S/c1-3-4-7-12-24-20(26)16-10-6-5-9-15(16)18(23-24)19(25)22-21-14(2)17-11-8-13-27-17/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,25)/b21-14-