3-methylsulfanyl-1-(phenylmethyl)-4-propan-2-ylsulfonyl-pyrrole

Systemtic Name: 3-methylsulfanyl-1-(phenylmethyl)-4-propan-2-ylsulfonyl-pyrrole Openeye Name: 1-benzyl-3-isopropylsulfonyl-4-methylsulfanyl-pyrrole CAS Name: 3-(methylthio)-1-(phenylmethyl)-4-propan-2-ylsulfonylpyrrole IUPAC Name: 1-benzyl-3-methylsulfanyl-4-propan-2-ylsulfonylpyrrole Traditional Name: 1-benzyl-3-isopropylsulfonyl-4-(methylthio)pyrrole Formula: C15H19NO2S2 MolecularWeight: 309.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CN(C=C1SC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN(C=C1SC)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO2S2/c1-12(2)20(17,18)15-11-16(10-14(15)19-3)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3