2,2,2-tris(chloranyl)-1-[5-(4-methylphenyl)sulfanyl-1H-pyrrol-2-yl]ethanone

Systemtic Name: 2,2,2-tris(chloranyl)-1-[5-(4-methylphenyl)sulfanyl-1H-pyrrol-2-yl]ethanone Openeye Name: 2,2,2-trichloro-1-[5-(p-tolylsulfanyl)-1H-pyrrol-2-yl]ethanone CAS Name: 2,2,2-trichloro-1-[5-[(4-methylphenyl)thio]-1H-pyrrol-2-yl]ethanone IUPAC Name: 2,2,2-trichloro-1-[5-(4-methylphenyl)sulfanyl-1H-pyrrol-2-yl]ethanone Traditional Name: 2,2,2-trichloro-1-[5-(p-tolylthio)-1H-pyrrol-2-yl]ethanone Formula: C13H10Cl3NOS MolecularWeight: 334.6486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(N2)C(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(N2)C(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H10Cl3NOS/c1-8-2-4-9(5-3-8)19-11-7-6-10(17-11)12(18)13(14,15)16/h2-7,17H,1H3