3-[3,5-bis(chloranyl)-4-methylsulfanyl-phenyl]-4-bromanyl-1H-pyrrole-2,5-dicarbonitrile

Systemtic Name: 3-[3,5-bis(chloranyl)-4-methylsulfanyl-phenyl]-4-bromanyl-1H-pyrrole-2,5-dicarbonitrile Openeye Name: 3-bromo-4-(3,5-dichloro-4-methylsulfanyl-phenyl)-1H-pyrrole-2,5-dicarbonitrile CAS Name: 3-bromo-4-[3,5-dichloro-4-(methylthio)phenyl]-1H-pyrrole-2,5-dicarbonitrile IUPAC Name: 3-bromo-4-(3,5-dichloro-4-methylsulfanylphenyl)-1H-pyrrole-2,5-dicarbonitrile Traditional Name: 3-bromo-4-[3,5-dichloro-4-(methylthio)phenyl]-1H-pyrrole-2,5-dicarbonitrile Formula: C13H6BrCl2N3S MolecularWeight: 387.08184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1Cl)C2=C(NC(=C2Br)C#N)C#N)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1Cl)C2=C(NC(=C2Br)C#N)C#N)Cl

InChI

InChI=1S/C13H6BrCl2N3S/c1-20-13-7(15)2-6(3-8(13)16)11-9(4-17)19-10(5-18)12(11)14/h2-3,19H,1H3