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

Systemtic Name: 1-[4-[4-[[4-(3-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[4-[[4-(3-chlorophenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methyl-piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[4-[[4-(3-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxobutyl]-2-methyl-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[4-[[4-(3-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]-2-methylpiperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[4-[[4-(3-chlorophenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butanoyl]-2-methyl-piperazino]heptan-1-one Formula: C31H40ClN5O2S MolecularWeight: 582.1996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1C)C(=O)CCCSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H40ClN5O2S/c1-4-5-6-7-12-29(39)36-19-18-35(22-24(36)3)28(38)13-9-20-40-31-34-33-30(25-16-14-23(2)15-17-25)37(31)27-11-8-10-26(32)21-27/h8,10-11,14-17,21,24H,4-7,9,12-13,18-20,22H2,1-3H3