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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNC(=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/c1-2-39-26(21-13-7-4-8-14-21)25(20-11-5-3-6-12-20)38-28(39)41-16-10-9-15-37-27(40)22-17-23(29(31,32)33)19-24(18-22)30(34,35)36/h3-8,11-14,17-19H,2,9-10,15-16H2,1H3,(H,37,40)