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

Systemtic Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-(4-methylpiperazino)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C17H23N5OS/c1-13-4-6-14(7-5-13)16-18-19-17(21(16)3)24-12-15(23)22-10-8-20(2)9-11-22/h4-7H,8-12H2,1-3H3