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

Systemtic Name: 1-[2-methyl-4-[4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[2-methyl-4-[1-oxo-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]pentan-1-one Formula: C29H37N5O2S MolecularWeight: 519.70138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H37N5O2S/c1-3-4-16-28(36)33-19-18-32(22-23(33)2)27(35)17-11-20-37-29-31-30-26(21-24-12-7-5-8-13-24)34(29)25-14-9-6-10-15-25/h5-10,12-15,23H,3-4,11,16-22H2,1-2H3