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

Systemtic Name: 4-cyano-5-ethylsulfanyl-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-ethylsulfanyl-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid CAS Name: 4-cyano-5-(ethylthio)-1-methyl-3-(4-phenylphenyl)-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-5-ethylsulfanyl-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-(ethylthio)-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCSC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N2O2S/c1-3-26-20-17(13-22)18(19(21(24)25)23(20)2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,24,25)