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

Systemtic Name: 2-ethyl-1-[4-[5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]-2-methyl-piperazin-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxopentyl]-2-methyl-1-piperazinyl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-[5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentanoyl]-2-methyl-piperazino]hexan-1-one Formula: C33H45N5O3S MolecularWeight: 591.8071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C33H45N5O3S/c1-5-7-13-26(6-2)32(40)37-22-21-36(24-25(37)3)30(39)16-11-12-23-42-33-35-34-31(27-14-9-8-10-15-27)38(33)28-17-19-29(41-4)20-18-28/h8-10,14-15,17-20,25-26H,5-7,11-13,16,21-24H2,1-4H3