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

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c1-2-11-26-20(28)16-6-4-3-5-15(16)18(25-26)19(27)24-21-23-17(12-29-21)13-7-9-14(22)10-8-13/h3-10,12H,2,11H2,1H3,(H,23,24,27)