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

Systemtic Name: 4-cyano-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylsulfanyl-pyrrole-2-carboxylic acid Openeye Name: 4-cyano-5-isopropylsulfanyl-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid CAS Name: 4-cyano-1-methyl-3-(4-phenylphenyl)-5-(propan-2-ylthio)-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-1-methyl-3-(4-phenylphenyl)-5-propan-2-ylsulfanylpyrrole-2-carboxylic acid Traditional Name: 4-cyano-5-(isopropylthio)-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylic acid Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)SC1=C(C(=C(N1C)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N2O2S/c1-14(2)27-21-18(13-23)19(20(22(25)26)24(21)3)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H,25,26)