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

Systemtic Name: 4-acetamido-N-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]benzamide Openeye Name: 4-acetamido-N-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methyleneamino]benzamide CAS Name: 4-acetamido-N-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]methylideneamino]benzamide IUPAC Name: 4-acetamido-N-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide Traditional Name: 4-acetamido-N-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-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)C=NNC(=O)C3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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