4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-nitrophenyl)methyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-(3-nitrobenzylidene)amino]benzamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3S/c1-14-10-15(2)24-21(23-14)30-13-16-6-8-18(9-7-16)20(27)25-22-12-17-4-3-5-19(11-17)26(28)29/h3-12H,13H2,1-2H3,(H,25,27)/b22-12+