1-[4-[2-(4-fluorophenyl)ethanoyl]-3-methyl-piperazin-1-yl]-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-[2-(4-fluorophenyl)ethanoyl]-3-methyl-piperazin-1-yl]-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[2-(4-fluorophenyl)acetyl]-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[2-(4-fluorophenyl)-1-oxoethyl]-3-methyl-1-piperazinyl]-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[2-(4-fluorophenyl)acetyl]-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-[2-(4-fluorophenyl)acetyl]-3-methyl-piperazino]pentan-1-one Formula: C33H36FN5O2S MolecularWeight: 585.734643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H36FN5O2S/c1-25-24-37(19-20-38(25)32(41)23-27-15-17-28(34)18-16-27)31(40)14-8-9-21-42-33-36-35-30(22-26-10-4-2-5-11-26)39(33)29-12-6-3-7-13-29/h2-7,10-13,15-18,25H,8-9,14,19-24H2,1H3