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

Systemtic Name: 1-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(3-methyl-4-p-anisoyl-piperazino)-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C32H32F3N5O3S MolecularWeight: 623.68839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32F3N5O3S/c1-22-21-38(17-18-39(22)30(42)24-13-15-27(43-2)16-14-24)28(41)12-7-19-44-31-37-36-29(23-8-4-3-5-9-23)40(31)26-11-6-10-25(20-26)32(33,34)35/h3-6,8-11,13-16,20,22H,7,12,17-19,21H2,1-2H3