2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H29N5O3S/c31-22(28-13-15-29(16-14-28)24(32)21-12-7-17-33-21)18-34-25-26-23(19-8-3-1-4-9-19)30(27-25)20-10-5-2-6-11-20/h2,5-7,10-12,17,19H,1,3-4,8-9,13-16,18H2