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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C=C(C(=C1)SC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)N1C=C(C(=C1)SC)CC2=CC=CC=C2

InChI

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