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

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3,5-bis(trifluoromethyl)benzamide Formula: C31H29F6N3OS MolecularWeight: 605.636879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNC(=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=C1SCCCNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H29F6N3OS/c1-2-3-16-40-27(22-13-8-5-9-14-22)26(21-11-6-4-7-12-21)39-29(40)42-17-10-15-38-28(41)23-18-24(30(32,33)34)20-25(19-23)31(35,36)37/h4-9,11-14,18-20H,2-3,10,15-17H2,1H3,(H,38,41)