2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(1,3,4-thiadiazol-2-yl)acetamide Formula: C15H19N5O3S3 MolecularWeight: 413.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=NN=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=NN=CS3

InChI

InChI=1S/C15H19N5O3S3/c21-13(18-15-19-17-11-25-15)10-24-14-6-5-12(9-16-14)26(22,23)20-7-3-1-2-4-8-20/h5-6,9,11H,1-4,7-8,10H2,(H,18,19,21)