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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-mesylpiperazino)ethanone Formula: C13H23N5O3S2 MolecularWeight: 361.48342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H23N5O3S2/c1-13(2,3)11-14-12(16-15-11)22-9-10(19)17-5-7-18(8-6-17)23(4,20)21/h5-9H2,1-4H3,(H,14,15,16)