1-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(4-butylbenzoyl)-3-methyl-piperazin-1-yl]-4-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(4-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(4-butylbenzoyl)-3-methylpiperazin-1-yl]-4-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(4-butylbenzoyl)-3-methyl-piperazino]-4-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C33H39N5O3S MolecularWeight: 585.75946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CO5

InChI

InChI=1S/C33H39N5O3S/c1-4-5-8-26-13-15-27(16-14-26)32(40)37-20-19-36(23-25(37)3)30(39)10-7-22-42-33-35-34-31(29-9-6-21-41-29)38(33)28-17-11-24(2)12-18-28/h6,9,11-18,21,25H,4-5,7-8,10,19-20,22-23H2,1-3H3