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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-2-phenyl-piperazin-1-yl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-2-phenyl-piperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-2-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-2-phenyl-piperazino)ethanone Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCN(CC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCN(CC3C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5O2S/c1-17-24-25-23(28(17)19-9-11-20(30-3)12-10-19)31-16-22(29)27-14-13-26(2)15-21(27)18-7-5-4-6-8-18/h4-12,21H,13-16H2,1-3H3