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

Systemtic Name: N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methylideneamino]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methyleneamino]-3,5-dimethoxy-benzamide CAS Name: N-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrophenyl]methylideneamino]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]methylideneamino]-3,5-dimethoxybenzamide Traditional Name: N-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-benzylidene]amino]-3,5-dimethoxy-benzamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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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)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O5S/c1-13-7-14(2)25-22(24-13)33-20-6-5-17(27(29)30)8-16(20)12-23-26-21(28)15-9-18(31-3)11-19(10-15)32-4/h5-12H,1-4H3,(H,26,28)