N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C16H8Cl2F3N5O2S MolecularWeight: 462.23323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C16H8Cl2F3N5O2S/c17-9-1-3-10(4-2-9)29-15-12(26(27)28)14(23-7-24-15)25-13-11(18)5-8(6-22-13)16(19,20)21/h1-7H,(H,22,23,24,25)