1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H25N5O2S MolecularWeight: 399.5098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C(=O)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C(=O)C4CC4)C

InChI

InChI=1S/C20H25N5O2S/c1-14-3-7-17(8-4-14)25-15(2)21-22-20(25)28-13-18(26)23-9-11-24(12-10-23)19(27)16-5-6-16/h3-4,7-8,16H,5-6,9-13H2,1-2H3