1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]-5-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]-5-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(cyclobutanecarbonyl)-3-methyl-piperazino]-5-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCCC(=O)N2CCN(C(C2)C)C(=O)C3CCC3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCCCCC(=O)N2CCN(C(C2)C)C(=O)C3CCC3)C4=CC=CO4

InChI

InChI=1S/C23H33N5O3S/c1-3-27-21(19-10-7-14-31-19)24-25-23(27)32-15-5-4-11-20(29)26-12-13-28(17(2)16-26)22(30)18-8-6-9-18/h7,10,14,17-18H,3-6,8-9,11-13,15-16H2,1-2H3