1-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one CAS Name: 1-[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazino]butan-1-one Formula: C32H32F3N5O2S MolecularWeight: 607.68899

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C32H32F3N5O2S/c1-23-22-38(17-18-39(23)30(42)25-12-8-13-26(21-25)32(33,34)35)29(41)16-9-19-43-31-37-36-28(20-24-10-4-2-5-11-24)40(31)27-14-6-3-7-15-27/h2-8,10-15,21,23H,9,16-20,22H2,1H3