O-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] cyanomethylsulfanylmethanethioate

Systemtic Name: O-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] cyanomethylsulfanylmethanethioate Openeye Name: O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] cyanomethylsulfanylmethanethioate CAS Name: (cyanomethylthio)methanethioic acid O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] ester IUPAC Name: O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] cyanomethylsulfanylmethanethioate Traditional Name: (cyanomethylthio)methanethioic acid O-[3-(2-keto-1,3-benzothiazol-3-yl)propyl] ester Formula: C13H12N2O2S3 MolecularWeight: 324.44158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SCC#N

InChI

InChI=1S/C13H12N2O2S3/c14-6-9-19-13(18)17-8-3-7-15-10-4-1-2-5-11(10)20-12(15)16/h1-2,4-5H,3,7-9H2