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

Systemtic Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]nonan-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-nonanone IUPAC Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]nonan-1-one Formula: C28H43N5O2S MolecularWeight: 513.73832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N5O2S/c1-4-6-7-8-9-13-17-26(35)33-20-19-31(22-23(33)3)25(34)18-14-21-36-28-30-29-27(32(28)5-2)24-15-11-10-12-16-24/h10-12,15-16,23H,4-9,13-14,17-22H2,1-3H3