N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(4,5-dimethylthiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(4,5-dimethylthiazol-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N4O2S/c1-13-14(2)28-21(22-13)23-19(26)18-16-10-6-7-11-17(16)20(27)25(24-18)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,22,23,26)