2-methyl-5-phenyl-1-(4-sulfanylphenyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-5-phenyl-1-(4-sulfanylphenyl)pyrrole-3-carboxylic acid Openeye Name: 2-methyl-5-phenyl-1-(4-sulfanylphenyl)pyrrole-3-carboxylic acid CAS Name: 1-(4-mercaptophenyl)-2-methyl-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-5-phenyl-1-(4-sulfanylphenyl)pyrrole-3-carboxylic acid Traditional Name: 1-(4-mercaptophenyl)-2-methyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)S)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)S)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15NO2S/c1-12-16(18(20)21)11-17(13-5-3-2-4-6-13)19(12)14-7-9-15(22)10-8-14/h2-11,22H,1H3,(H,20,21)