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

Systemtic Name: 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H17N5O3S2/c23-17-14-5-1-2-6-15(14)19-20-22(17)12-26-16-8-7-13(11-18-16)27(24,25)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2