1-[(2,5-dimethylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole CAS Name: 1-[(2,5-dimethylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methylthio]indole IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole Traditional Name: 1-(2,5-dimethylbenzyl)-3-[[3-(trifluoromethyl)benzyl]thio]indole Formula: C25H22F3NS MolecularWeight: 425.50909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H22F3NS/c1-17-10-11-18(2)20(12-17)14-29-15-24(22-8-3-4-9-23(22)29)30-16-19-6-5-7-21(13-19)25(26,27)28/h3-13,15H,14,16H2,1-2H3