(4-methylpyrimidin-2-yl) N-(2-methyl-5-nitro-phenyl)-4-nitro-benzenecarboximidothioate

Systemtic Name: (4-methylpyrimidin-2-yl) N-(2-methyl-5-nitro-phenyl)-4-nitro-benzenecarboximidothioate Openeye Name: (4-methylpyrimidin-2-yl) N-(2-methyl-5-nitro-phenyl)-4-nitro-benzenecarboximidothioate CAS Name: N-(2-methyl-5-nitrophenyl)-4-nitrobenzenecarboximidothioic acid (4-methyl-2-pyrimidinyl) ester IUPAC Name: (4-methylpyrimidin-2-yl) N-(2-methyl-5-nitrophenyl)-4-nitrobenzenecarboximidothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-nitro-benzenecarboximidothioic acid (4-methylpyrimidin-2-yl) ester Formula: C19H15N5O4S MolecularWeight: 409.4185

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O4S/c1-12-3-6-16(24(27)28)11-17(12)22-18(29-19-20-10-9-13(2)21-19)14-4-7-15(8-5-14)23(25)26/h3-11H,1-2H3