3-methylsulfanyl-1-phenyl-4-propan-2-ylsulfonyl-pyrrole

Systemtic Name: 3-methylsulfanyl-1-phenyl-4-propan-2-ylsulfonyl-pyrrole Openeye Name: 3-isopropylsulfonyl-4-methylsulfanyl-1-phenyl-pyrrole CAS Name: 3-(methylthio)-1-phenyl-4-propan-2-ylsulfonylpyrrole IUPAC Name: 3-methylsulfanyl-1-phenyl-4-propan-2-ylsulfonylpyrrole Traditional Name: 3-isopropylsulfonyl-4-(methylthio)-1-phenyl-pyrrole Formula: C14H17NO2S2 MolecularWeight: 295.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1SC)C2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1SC)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO2S2/c1-11(2)19(16,17)14-10-15(9-13(14)18-3)12-7-5-4-6-8-12/h4-11H,1-3H3