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

Systemtic Name: (4,6-dimethylpyrimidin-2-yl) 4-bromanyl-N-(2-methyl-5-nitro-phenyl)benzenecarboximidothioate Openeye Name: (4,6-dimethylpyrimidin-2-yl) 4-bromo-N-(2-methyl-5-nitro-phenyl)benzenecarboximidothioate CAS Name: 4-bromo-N-(2-methyl-5-nitrophenyl)benzenecarboximidothioic acid (4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethylpyrimidin-2-yl) 4-bromo-N-(2-methyl-5-nitrophenyl)benzenecarboximidothioate Traditional Name: 4-bromo-N-(2-methyl-5-nitro-phenyl)benzenecarboximidothioic acid (4,6-dimethylpyrimidin-2-yl) ester Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O2S/c1-12-4-9-17(25(26)27)11-18(12)24-19(15-5-7-16(21)8-6-15)28-20-22-13(2)10-14(3)23-20/h4-11H,1-3H3