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

Systemtic Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]octan-1-one Formula: C27H41N5O2S MolecularWeight: 499.71174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2CC)C3=CC=CC=C3

InChI

InChI=1S/C27H41N5O2S/c1-4-6-7-8-12-16-25(34)32-19-18-30(21-22(32)3)24(33)17-13-20-35-27-29-28-26(31(27)5-2)23-14-10-9-11-15-23/h9-11,14-15,22H,4-8,12-13,16-21H2,1-3H3