4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]benzamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N/NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)/C)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3S/c1-14-5-8-20(12-21(14)28(30)31)17(4)26-27-22(29)19-9-6-18(7-10-19)13-32-23-24-15(2)11-16(3)25-23/h5-12H,13H2,1-4H3,(H,27,29)/b26-17+