4,5-bis(phenylmethylsulfanyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4,5-bis(phenylmethylsulfanyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 4,5-bis(benzylsulfanyl)-1H-pyrrole-3-carboxylic acid CAS Name: 4,5-bis(phenylmethylthio)-1H-pyrrole-3-carboxylic acid IUPAC Name: 4,5-bis(benzylsulfanyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 4,5-bis(benzylthio)-1H-pyrrole-3-carboxylic acid Formula: C19H17NO2S2 MolecularWeight: 355.47378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(NC=C2C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(NC=C2C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO2S2/c21-19(22)16-11-20-18(24-13-15-9-5-2-6-10-15)17(16)23-12-14-7-3-1-4-8-14/h1-11,20H,12-13H2,(H,21,22)