3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H19N5O3S2/c24-18-15-6-2-3-7-16(15)20-21-23(18)13-27-17-9-8-14(12-19-17)28(25,26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2