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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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