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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H30N6O3S2 MolecularWeight: 478.6313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C)N4CCCCC4

InChI

InChI=1S/C21H30N6O3S2/c1-17-6-8-18(9-7-17)27-20(25-10-4-3-5-11-25)22-23-21(27)31-16-19(28)24-12-14-26(15-13-24)32(2,29)30/h6-9H,3-5,10-16H2,1-2H3