N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[5-methyl-4-(4-propylphenyl)-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-3H-phthalazine-1-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-3-6-14-9-11-15(12-10-14)18-13(2)29-22(23-18)24-21(28)19-16-7-4-5-8-17(16)20(27)26-25-19/h4-5,7-12H,3,6H2,1-2H3,(H,26,27)(H,23,24,28)