S-[4,5-bis(4-chlorophenyl)-3-prop-2-enyl-1H-pyrrol-2-yl] ethanethioate

Systemtic Name: S-[4,5-bis(4-chlorophenyl)-3-prop-2-enyl-1H-pyrrol-2-yl] ethanethioate Openeye Name: S-[3-allyl-4,5-bis(4-chlorophenyl)-1H-pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4,5-bis(4-chlorophenyl)-3-prop-2-enyl-1H-pyrrol-2-yl] ester IUPAC Name: S-[4,5-bis(4-chlorophenyl)-3-prop-2-enyl-1H-pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[3-allyl-4,5-bis(4-chlorophenyl)-1H-pyrrol-2-yl] ester Formula: C21H17Cl2NOS MolecularWeight: 402.33678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C(=C(N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CC(=O)SC1=C(C(=C(N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C21H17Cl2NOS/c1-3-4-18-19(14-5-9-16(22)10-6-14)20(24-21(18)26-13(2)25)15-7-11-17(23)12-8-15/h3,5-12,24H,1,4H2,2H3