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

Systemtic Name: 1-[4-(4-butoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(4-butoxybenzoyl)-3-methyl-piperazin-1-yl]-4-[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(4-butoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[[5-(2-furanyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(4-butoxybenzoyl)-3-methylpiperazin-1-yl]-4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(4-butoxybenzoyl)-3-methyl-piperazino]-4-[[5-(2-furyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C33H39N5O4S MolecularWeight: 601.75886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=CO5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=CO5

InChI

InChI=1S/C33H39N5O4S/c1-4-5-20-41-27-16-14-26(15-17-27)32(40)37-19-18-36(23-25(37)3)30(39)13-9-22-43-33-35-34-31(29-12-8-21-42-29)38(33)28-11-7-6-10-24(28)2/h6-8,10-12,14-17,21,25H,4-5,9,13,18-20,22-23H2,1-3H3