1-[4-(2-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(2-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(2-chlorobenzoyl)-3-methyl-piperazin-1-yl]-5-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[(2-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[[5-(2-furanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]-5-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(2-chlorobenzoyl)-3-methyl-piperazino]-5-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C30H32ClN5O4S MolecularWeight: 594.12418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CO5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CO5

InChI

InChI=1S/C30H32ClN5O4S/c1-21-20-34(16-17-35(21)29(38)24-8-3-4-9-25(24)31)27(37)11-5-6-19-41-30-33-32-28(26-10-7-18-40-26)36(30)22-12-14-23(39-2)15-13-22/h3-4,7-10,12-15,18,21H,5-6,11,16-17,19-20H2,1-2H3