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

Systemtic Name: 1-(3-methyl-4-naphthalen-2-ylcarbonyl-piperazin-1-yl)-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-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-(2-naphthoyl)piperazino]-4-[[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C35H32F3N5O2S MolecularWeight: 643.72109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCSC4=NN=C(N4C5=CC=CC(=C5)C(F)(F)F)C6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCSC4=NN=C(N4C5=CC=CC(=C5)C(F)(F)F)C6=CC=CC=C6

InChI

InChI=1S/C35H32F3N5O2S/c1-24-23-41(18-19-42(24)33(45)28-17-16-25-9-5-6-12-27(25)21-28)31(44)15-8-20-46-34-40-39-32(26-10-3-2-4-11-26)43(34)30-14-7-13-29(22-30)35(36,37)38/h2-7,9-14,16-17,21-22,24H,8,15,18-20,23H2,1H3