2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-1,3-benzothiazole Formula: C19H21N3O2S3 MolecularWeight: 419.58394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O2S3/c23-27(24,22-11-5-1-2-6-12-22)15-9-10-18(20-13-15)25-14-19-21-16-7-3-4-8-17(16)26-19/h3-4,7-10,13H,1-2,5-6,11-12,14H2