N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-[4-chloro-3-(trifluoromethyl)phenyl]amine Formula: C17H9Cl2F3N4O2S MolecularWeight: 461.24517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl

InChI

InChI=1S/C17H9Cl2F3N4O2S/c18-9-1-4-11(5-2-9)29-16-14(26(27)28)15(23-8-24-16)25-10-3-6-13(19)12(7-10)17(20,21)22/h1-8H,(H,23,24,25)