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

Systemtic Name: N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(Z)-(2-methylthiazol-4-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(2-methyl-4-thiazolyl)methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(Z)-(2-methylthiazol-4-yl)methyleneamino]phthalazine-1-carboxamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)/C=N\NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2S/c1-14-23-16(13-29-14)11-22-24-20(27)19-17-9-5-6-10-18(17)21(28)26(25-19)12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H,24,27)/b22-11-