2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-mesylpiperazino)ethanone Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H31N5O3S2/c1-6-26-19(16-7-9-17(10-8-16)21(2,3)4)22-23-20(26)30-15-18(27)24-11-13-25(14-12-24)31(5,28)29/h7-10H,6,11-15H2,1-5H3