2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-isobutyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC(C)C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC(C)C)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C26H33N5O4S/c1-4-20-7-9-21(10-8-20)35-17-23-27-28-26(31(23)16-19(2)3)36-18-24(32)29-11-13-30(14-12-29)25(33)22-6-5-15-34-22/h5-10,15,19H,4,11-14,16-18H2,1-3H3