S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 3,5-dinitrobenzenecarbothioate Openeye Name: S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl] 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl] ester Formula: C19H14N4O6S MolecularWeight: 426.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O6S/c1-11-7-17(12-3-5-16(29-2)6-4-12)21-19(20-11)30-18(24)13-8-14(22(25)26)10-15(9-13)23(27)28/h3-10H,1-2H3