1-[(4-nitrophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indole

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indole Openeye Name: 1-[(4-nitrophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indole CAS Name: 1-[(4-nitrophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methylthio]indole IUPAC Name: 1-[(4-nitrophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]indole Traditional Name: 1-(4-nitrobenzyl)-3-[[4-(trifluoromethyl)benzyl]thio]indole Formula: C23H17F3N2O2S MolecularWeight: 442.45349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N2O2S/c24-23(25,26)18-9-5-17(6-10-18)15-31-22-14-27(21-4-2-1-3-20(21)22)13-16-7-11-19(12-8-16)28(29)30/h1-12,14H,13,15H2