2-[(S)-(4-nitrophenyl)methylsulfinyl]-4,6-bis(trifluoromethyl)pyrimidine

Systemtic Name: 2-[(S)-(4-nitrophenyl)methylsulfinyl]-4,6-bis(trifluoromethyl)pyrimidine Openeye Name: 2-[(S)-(4-nitrophenyl)methylsulfinyl]-4,6-bis(trifluoromethyl)pyrimidine CAS Name: 2-[(S)-(4-nitrophenyl)methylsulfinyl]-4,6-bis(trifluoromethyl)pyrimidine IUPAC Name: 2-[(S)-(4-nitrophenyl)methylsulfinyl]-4,6-bis(trifluoromethyl)pyrimidine Traditional Name: 2-[(S)-(4-nitrobenzyl)sulfinyl]-4,6-bis(trifluoromethyl)pyrimidine Formula: C13H7F6N3O3S MolecularWeight: 399.268399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[S@](=O)C2=NC(=CC(=N2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H7F6N3O3S/c14-12(15,16)9-5-10(13(17,18)19)21-11(20-9)26(25)6-7-1-3-8(4-2-7)22(23)24/h1-5H,6H2/t26-/m0/s1