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

Systemtic Name: 2-ethyl-1-[4-[5-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]-2-methyl-piperazin-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[5-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[5-[[5-(2-furanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxopentyl]-2-methyl-1-piperazinyl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[5-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoyl]-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-[5-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]pentanoyl]-2-methyl-piperazino]hexan-1-one Formula: C31H43N5O4S MolecularWeight: 581.76922

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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=CO4

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)CCCCSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C31H43N5O4S/c1-5-7-11-24(6-2)30(38)35-19-18-34(22-23(35)3)28(37)13-8-9-21-41-31-33-32-29(27-12-10-20-40-27)36(31)25-14-16-26(39-4)17-15-25/h10,12,14-17,20,23-24H,5-9,11,13,18-19,21-22H2,1-4H3