N-(4-ethanoyl-1,3-thiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(4-ethanoyl-1,3-thiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-(4-acetylthiazol-2-yl)-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-acetyl-2-thiazolyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(4-acetyl-1,3-thiazol-2-yl)-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-acetylthiazol-2-yl)-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CSC(=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CSC(=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3S/c1-13(26)17-12-29-21(22-17)23-19(27)18-15-9-5-6-10-16(15)20(28)25(24-18)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,22,23,27)