3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(cyanomethyl)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(cyanomethyl)phenyl]propane-1-sulfonamide Formula: C18H17N3O2S3 MolecularWeight: 403.54148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H17N3O2S3/c19-11-10-14-6-8-15(9-7-14)21-26(22,23)13-3-12-24-18-20-16-4-1-2-5-17(16)25-18/h1-2,4-9,21H,3,10,12-13H2