2-[5-nitro-3-(trifluoromethyl)pyridin-2-yl]sulfanylaniline

Systemtic Name: 2-[5-nitro-3-(trifluoromethyl)pyridin-2-yl]sulfanylaniline Openeye Name: 2-[[5-nitro-3-(trifluoromethyl)-2-pyridyl]sulfanyl]aniline CAS Name: 2-[[5-nitro-3-(trifluoromethyl)-2-pyridinyl]thio]aniline IUPAC Name: 2-[5-nitro-3-(trifluoromethyl)pyridin-2-yl]sulfanylaniline Traditional Name: [2-[[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio]phenyl]amine Formula: C12H8F3N3O2S MolecularWeight: 315.27103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SC2=NC=C(C=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N)SC2=NC=C(C=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H8F3N3O2S/c13-12(14,15)8-5-7(18(19)20)6-17-11(8)21-10-4-2-1-3-9(10)16/h1-6H,16H2