2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(4-amino-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-[(4-amino-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CN3N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=CN3N

InChI

InChI=1S/C16H20N6O4S2/c1-12(23)13-2-4-14(5-3-13)28(25,26)21-8-6-20(7-9-21)15(24)10-27-16-19-18-11-22(16)17/h2-5,11H,6-10,17H2,1H3