5-(4-methylphenyl)sulfonyl-4-methylsulfanyl-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-methylsulfanyl-1H-pyrrole-3-carbonitrile Openeye Name: 4-methylsulfanyl-5-(p-tolylsulfonyl)-1H-pyrrole-3-carbonitrile CAS Name: 5-(4-methylphenyl)sulfonyl-4-(methylthio)-1H-pyrrole-3-carbonitrile IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-methylsulfanyl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(methylthio)-5-tosyl-1H-pyrrole-3-carbonitrile Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)C#N)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)C#N)SC

InChI

InChI=1S/C13H12N2O2S2/c1-9-3-5-11(6-4-9)19(16,17)13-12(18-2)10(7-14)8-15-13/h3-6,8,15H,1-2H3