(4,6-dimethylpyrimidin-2-yl) N-(2-methyl-5-nitro-phenyl)-3-nitro-benzenecarboximidothioate

Systemtic Name: (4,6-dimethylpyrimidin-2-yl) N-(2-methyl-5-nitro-phenyl)-3-nitro-benzenecarboximidothioate Openeye Name: (4,6-dimethylpyrimidin-2-yl) N-(2-methyl-5-nitro-phenyl)-3-nitro-benzenecarboximidothioate CAS Name: N-(2-methyl-5-nitrophenyl)-3-nitrobenzenecarboximidothioic acid (4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethylpyrimidin-2-yl) N-(2-methyl-5-nitrophenyl)-3-nitrobenzenecarboximidothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-nitro-benzenecarboximidothioic acid (4,6-dimethylpyrimidin-2-yl) ester Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H17N5O4S/c1-12-7-8-17(25(28)29)11-18(12)23-19(15-5-4-6-16(10-15)24(26)27)30-20-21-13(2)9-14(3)22-20/h4-11H,1-3H3