2-[4-(1,3-dithiolan-2-yl)-2-nitro-phenyl]sulfanyl-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[4-(1,3-dithiolan-2-yl)-2-nitro-phenyl]sulfanyl-5-(trifluoromethyl)pyridine Openeye Name: 2-[4-(1,3-dithiolan-2-yl)-2-nitro-phenyl]sulfanyl-5-(trifluoromethyl)pyridine CAS Name: 2-[[4-(1,3-dithiolan-2-yl)-2-nitrophenyl]thio]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[4-(1,3-dithiolan-2-yl)-2-nitrophenyl]sulfanyl-5-(trifluoromethyl)pyridine Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)-2-nitro-phenyl]thio]-5-(trifluoromethyl)pyridine Formula: C15H11F3N2O2S3 MolecularWeight: 404.45025

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC(=C(C=C2)SC3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC(=C(C=C2)SC3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N2O2S3/c16-15(17,18)10-2-4-13(19-8-10)25-12-3-1-9(7-11(12)20(21)22)14-23-5-6-24-14/h1-4,7-8,14H,5-6H2