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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-2-phenyl-piperazin-1-yl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-2-phenyl-piperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-2-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-2-phenyl-piperazino)ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CSC3=NN=CN3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CSC3=NN=CN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N5O2S/c1-25-12-13-26(20(14-25)17-6-4-3-5-7-17)21(28)15-30-22-24-23-16-27(22)18-8-10-19(29-2)11-9-18/h3-11,16,20H,12-15H2,1-2H3