1-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-indole

Systemtic Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-indole Openeye Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-indole CAS Name: 1-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]indole IUPAC Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylindole Traditional Name: 1-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]indole Formula: C16H11F3N2O2S MolecularWeight: 352.33095

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N2O2S/c1-20-9-15(11-4-2-3-5-12(11)20)24-14-7-6-10(16(17,18)19)8-13(14)21(22)23/h2-9H,1H3