1-[4-[4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]nonan-1-one

Systemtic Name: 1-[4-[4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[4-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[4-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methylpiperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[4-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butanoyl]-2-methyl-piperazino]nonan-1-one Formula: C31H43N5O3S MolecularWeight: 565.76982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CO4

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CO4

InChI

InChI=1S/C31H43N5O3S/c1-4-5-6-7-8-9-13-29(38)35-20-19-34(23-25(35)3)28(37)14-11-22-40-31-33-32-30(27-12-10-21-39-27)36(31)26-17-15-24(2)16-18-26/h10,12,15-18,21,25H,4-9,11,13-14,19-20,22-23H2,1-3H3