1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H23F3N2S MolecularWeight: 380.47023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C20H23F3N2S/c1-26-18-9-5-16(6-10-18)19(25-13-2-11-24-12-14-25)15-3-7-17(8-4-15)20(21,22)23/h3-10,19,24H,2,11-14H2,1H3