4-oxidanylidene-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[4-(4-propylphenyl)thiazol-2-yl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-(4-propylphenyl)-2-thiazolyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(4-propylphenyl)thiazol-2-yl]-3H-phthalazine-1-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S/c1-2-5-13-8-10-14(11-9-13)17-12-28-21(22-17)23-20(27)18-15-6-3-4-7-16(15)19(26)25-24-18/h3-4,6-12H,2,5H2,1H3,(H,25,26)(H,22,23,27)