N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxidanylidene-1H-phthalazin-3-ium-1-yl)ethanamide

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxidanylidene-1H-phthalazin-3-ium-1-yl)ethanamide Openeye Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-(3-methyl-4-oxo-1H-phthalazin-3-ium-1-yl)acetamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-(3-methyl-4-oxo-1H-phthalazin-3-ium-1-yl)acetamide IUPAC Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-oxo-1H-phthalazin-3-ium-1-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-1H-phthalazin-3-ium-1-yl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide Formula: C21H19N4O3S+ MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(C2=CC=CC=C2C1=O)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[N+]1=NC(C2=CC=CC=C2C1=O)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N4O3S/c1-25-20(27)16-6-4-3-5-15(16)17(24-25)11-19(26)23-21-22-18(12-29-21)13-7-9-14(28-2)10-8-13/h3-10,12,17H,11H2,1-2H3/p+1