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

Systemtic Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(o-tolyl)piperazino]ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N5OS/c1-17-8-6-7-11-20(17)25-12-14-26(15-13-25)21(28)16-29-22-24-23-18(2)27(22)19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3