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

Systemtic Name: 1-[4-(2,2-diphenylethanoyl)-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-(2,2-diphenylacetyl)-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[3-methyl-4-(1-oxo-2,2-diphenylethyl)-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-(2,2-diphenylacetyl)-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2,2-diphenylacetyl)-3-methyl-piperazino]pentan-1-one Formula: C39H41N5O2S MolecularWeight: 643.84014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C39H41N5O2S/c1-30-29-42(25-26-43(30)38(46)37(32-18-8-3-9-19-32)33-20-10-4-11-21-33)36(45)24-14-15-27-47-39-41-40-35(28-31-16-6-2-7-17-31)44(39)34-22-12-5-13-23-34/h2-13,16-23,30,37H,14-15,24-29H2,1H3