2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-17-7-5-6-10-19(17)26-16-22-23-21(26)28-15-20(27)25-13-11-24(12-14-25)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3