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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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