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

Systemtic Name: 1-[4-[2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methyl-piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-methyl-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-methyl-piperazino]hexan-1-one Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CO4

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CO4

InChI

InChI=1S/C26H33N5O3S/c1-4-5-6-9-23(32)30-15-14-29(17-20(30)3)24(33)18-35-26-28-27-25(22-8-7-16-34-22)31(26)21-12-10-19(2)11-13-21/h7-8,10-13,16,20H,4-6,9,14-15,17-18H2,1-3H3