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

Systemtic Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]tetradecan-1-one Openeye Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]tetradecan-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-tetradecanone IUPAC Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]-2-methylpiperazin-1-yl]tetradecan-1-one Traditional Name: 1-[4-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanoyl]-2-methyl-piperazino]tetradecan-1-one Formula: C33H53N5O2S MolecularWeight: 583.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H53N5O2S/c1-4-6-7-8-9-10-11-12-13-14-18-22-31(40)38-25-24-36(27-28(38)3)30(39)23-19-26-41-33-35-34-32(37(33)5-2)29-20-16-15-17-21-29/h15-17,20-21,28H,4-14,18-19,22-27H2,1-3H3