3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-cyanoethyl)propane-1-sulfonamide Formula: C13H15N3O2S3 MolecularWeight: 341.4721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCCC#N

InChI

InChI=1S/C13H15N3O2S3/c14-7-3-8-15-21(17,18)10-4-9-19-13-16-11-5-1-2-6-12(11)20-13/h1-2,5-6,15H,3-4,8-10H2