4-(4-chlorophenyl)-2-(5-nitropyridin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(4-chlorophenyl)-2-(5-nitropyridin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-chlorophenyl)-2-[(5-nitro-2-pyridyl)sulfanyl]-6-(trifluoromethyl)pyrimidine CAS Name: 4-(4-chlorophenyl)-2-[(5-nitro-2-pyridinyl)thio]-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-chlorophenyl)-2-(5-nitropyridin-2-yl)sulfanyl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-chlorophenyl)-2-[(5-nitro-2-pyridyl)thio]-6-(trifluoromethyl)pyrimidine Formula: C16H8ClF3N4O2S MolecularWeight: 412.77353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SC3=NC=C(C=C3)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SC3=NC=C(C=C3)[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C16H8ClF3N4O2S/c17-10-3-1-9(2-4-10)12-7-13(16(18,19)20)23-15(22-12)27-14-6-5-11(8-21-14)24(25)26/h1-8H