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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[4-(4-propoxyphenyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[4-(4-propoxyphenyl)-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[4-(4-propoxyphenyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-2-16-34-20-14-12-18(13-15-20)23-17-35-27(28-23)29-25(32)24-21-10-6-7-11-22(21)26(33)31(30-24)19-8-4-3-5-9-19/h3-15,17H,2,16H2,1H3,(H,28,29,32)