S-[2,2-bis(1H-pyrrol-2-yl)ethyl] ethanethioate

Systemtic Name: S-[2,2-bis(1H-pyrrol-2-yl)ethyl] ethanethioate Openeye Name: S-[2,2-bis(1H-pyrrol-2-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2,2-bis(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: S-[2,2-bis(1H-pyrrol-2-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2,2-bis(1H-pyrrol-2-yl)ethyl] ester Formula: C12H14N2OS MolecularWeight: 234.31736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1=CC=CN1)C2=CC=CN2

Isomeric SMILES

CC(=O)SCC(C1=CC=CN1)C2=CC=CN2

InChI

InChI=1S/C12H14N2OS/c1-9(15)16-8-10(11-4-2-6-13-11)12-5-3-7-14-12/h2-7,10,13-14H,8H2,1H3