1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NN3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C18H25N5O3S2/c1-18(2,3)14-4-6-15(7-5-14)28(25,26)23-10-8-22(9-11-23)16(24)12-27-17-19-13-20-21-17/h4-7,13H,8-12H2,1-3H3,(H,19,20,21)