2,2,2-tris(chloranyl)-1-[5-(phenylmethylsulfanyl)-1H-pyrrol-2-yl]ethanone

Systemtic Name: 2,2,2-tris(chloranyl)-1-[5-(phenylmethylsulfanyl)-1H-pyrrol-2-yl]ethanone Openeye Name: 1-(5-benzylsulfanyl-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone CAS Name: 2,2,2-trichloro-1-[5-(phenylmethylthio)-1H-pyrrol-2-yl]ethanone IUPAC Name: 1-(5-benzylsulfanyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone Traditional Name: 1-[5-(benzylthio)-1H-pyrrol-2-yl]-2,2,2-trichloro-ethanone Formula: C13H10Cl3NOS MolecularWeight: 334.6486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(N2)C(=O)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(N2)C(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H10Cl3NOS/c14-13(15,16)12(18)10-6-7-11(17-10)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2