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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(cyanomethyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(cyanomethyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(cyanomethyl)propane-1-sulfonamide Formula: C12H13N3O2S3 MolecularWeight: 327.44552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S3/c13-6-7-14-20(16,17)9-3-8-18-12-15-10-4-1-2-5-11(10)19-12/h1-2,4-5,14H,3,7-9H2