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

Systemtic Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoyl]piperazin-1-yl]tetradecan-1-one Openeye Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoyl]piperazin-1-yl]tetradecan-1-one CAS Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopentyl]-1-piperazinyl]-1-tetradecanone IUPAC Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoyl]piperazin-1-yl]tetradecan-1-one Traditional Name: 1-[2-methyl-4-[5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentanoyl]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)CCCCSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C33H53N5O2S/c1-4-5-6-7-8-9-10-11-12-13-17-23-32(40)37-25-24-36(27-28(37)2)31(39)22-18-19-26-41-33-35-34-29(3)38(33)30-20-15-14-16-21-30/h14-16,20-21,28H,4-13,17-19,22-27H2,1-3H3