4-(2-methylsulfanylphenyl)-1-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]pyrrole-3-carbonitrile

Systemtic Name: 4-(2-methylsulfanylphenyl)-1-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]pyrrole-3-carbonitrile Openeye Name: 4-(2-methylsulfanylphenyl)-1-(2,2,2-trichloro-1-hydroxy-ethyl)pyrrole-3-carbonitrile CAS Name: 4-[2-(methylthio)phenyl]-1-(2,2,2-trichloro-1-hydroxyethyl)-3-pyrrolecarbonitrile IUPAC Name: 4-(2-methylsulfanylphenyl)-1-(2,2,2-trichloro-1-hydroxyethyl)pyrrole-3-carbonitrile Traditional Name: 4-[2-(methylthio)phenyl]-1-(2,2,2-trichloro-1-hydroxy-ethyl)pyrrole-3-carbonitrile Formula: C14H11Cl3N2OS MolecularWeight: 361.67394

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CN(C=C2C#N)C(C(Cl)(Cl)Cl)O

Isomeric SMILES

CSC1=CC=CC=C1C2=CN(C=C2C#N)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C14H11Cl3N2OS/c1-21-12-5-3-2-4-10(12)11-8-19(7-9(11)6-18)13(20)14(15,16)17/h2-5,7-8,13,20H,1H3