2-(4-methylphenyl)sulfonyl-3-methylsulfanyl-4-nitro-1H-pyrrole

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-methylsulfanyl-4-nitro-1H-pyrrole Openeye Name: 3-methylsulfanyl-4-nitro-2-(p-tolylsulfonyl)-1H-pyrrole CAS Name: 2-(4-methylphenyl)sulfonyl-3-(methylthio)-4-nitro-1H-pyrrole IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-methylsulfanyl-4-nitro-1H-pyrrole Traditional Name: 3-(methylthio)-4-nitro-2-tosyl-1H-pyrrole Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)[N+](=O)[O-])SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)[N+](=O)[O-])SC

InChI

InChI=1S/C12H12N2O4S2/c1-8-3-5-9(6-4-8)20(17,18)12-11(19-2)10(7-13-12)14(15)16/h3-7,13H,1-2H3