1-methyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4,5-bis(phenylthio)-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4,5-bis(phenylsulfanyl)pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4,5-bis(phenylthio)pyrrole-2-carboxylic acid Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1SC2=CC=CC=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=CC(=C1SC2=CC=CC=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15NO2S2/c1-19-15(18(20)21)12-16(22-13-8-4-2-5-9-13)17(19)23-14-10-6-3-7-11-14/h2-12H,1H3,(H,20,21)