2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-1,3-benzothiazole Formula: C17H17N3O2S3 MolecularWeight: 391.53078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H17N3O2S3/c21-25(22,20-9-3-4-10-20)13-7-8-16(18-11-13)23-12-17-19-14-5-1-2-6-15(14)24-17/h1-2,5-8,11H,3-4,9-10,12H2