2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxy-N-[(E)-(4-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxy-N-[(E)-(4-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)oxy-N-[(E)-(4-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]oxy]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[2-(benzylthio)-6-methyl-pyrimidin-4-yl]oxy-N-[(E)-(4-nitrobenzylidene)amino]acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)OCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-15-11-20(24-21(23-15)31-14-17-5-3-2-4-6-17)30-13-19(27)25-22-12-16-7-9-18(10-8-16)26(28)29/h2-12H,13-14H2,1H3,(H,25,27)/b22-12+