2-(3-azanylpyridin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-azanylpyridin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(3-amino-4-pyridyl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(3-amino-4-pyridinyl)thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(3-aminopyridin-4-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-amino-4-pyridyl)thio]-1-(4-mesylpiperazino)ethanone Formula: C12H18N4O3S2 MolecularWeight: 330.42632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=C(C=NC=C2)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=C(C=NC=C2)N

InChI

InChI=1S/C12H18N4O3S2/c1-21(18,19)16-6-4-15(5-7-16)12(17)9-20-11-2-3-14-8-10(11)13/h2-3,8H,4-7,9,13H2,1H3