N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-3,5-bis(trifluoromethyl)benzamide Formula: C30H27F6N3OS MolecularWeight: 591.610299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H27F6N3OS/c1-2-3-15-39-26(21-12-8-5-9-13-21)25(20-10-6-4-7-11-20)38-28(39)41-16-14-37-27(40)22-17-23(29(31,32)33)19-24(18-22)30(34,35)36/h4-13,17-19H,2-3,14-16H2,1H3,(H,37,40)