1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-3-[4-(methylthio)phenyl]-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3-(4-methylsulfanylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-3-[4-(methylthio)phenyl]-1-[2-(trifluoromethyl)benzyl]thiourea Formula: C29H26F3N5S2 MolecularWeight: 565.67545

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=S)N(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=S)N(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C29H26F3N5S2/c1-39-26-12-10-24(11-13-26)35-28(38)36(19-23-4-2-3-5-27(23)29(30,31)32)15-14-25-17-34-20-37(25)18-22-8-6-21(16-33)7-9-22/h2-13,17,20H,14-15,18-19H2,1H3,(H,35,38)