S-(4-methyl-6-phenyl-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(4-methyl-6-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methyl-6-phenylpyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(4-methyl-6-phenyl-pyrimidin-2-yl) ester Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O5S/c1-11-7-16(12-5-3-2-4-6-12)20-18(19-11)28-17(23)13-8-14(21(24)25)10-15(9-13)22(26)27/h2-10H,1H3