4-cyano-1-methyl-5-methylsulfanyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid

Systemtic Name: 4-cyano-1-methyl-5-methylsulfanyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Openeye Name: 4-cyano-1-methyl-5-methylsulfanyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid CAS Name: 4-cyano-1-methyl-5-(methylthio)-3-(4-phenylphenyl)-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-1-methyl-5-methylsulfanyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Traditional Name: 4-cyano-1-methyl-5-(methylthio)-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=C1SC)C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=C(C(=C1SC)C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H16N2O2S/c1-22-18(20(23)24)17(16(12-21)19(22)25-2)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,23,24)