3-acetamido-N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methylideneamino]benzamide

Systemtic Name: 3-acetamido-N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methylideneamino]benzamide Openeye Name: 3-acetamido-N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methyleneamino]benzamide CAS Name: 3-acetamido-N-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrophenyl]methylideneamino]benzamide IUPAC Name: 3-acetamido-N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]methylideneamino]benzamide Traditional Name: 3-acetamido-N-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-benzylidene]amino]benzamide Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC(=CC=C3)NC(=O)C)C

InChI

InChI=1S/C22H20N6O4S/c1-13-9-14(2)25-22(24-13)33-20-8-7-19(28(31)32)11-17(20)12-23-27-21(30)16-5-4-6-18(10-16)26-15(3)29/h4-12H,1-3H3,(H,26,29)(H,27,30)