5-azanyl-1-[2-bromanyl-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2-bromanyl-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2-bromo-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2-bromo-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-bromo-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2-bromo-4-(trifluoromethyl)phenyl]-4-(trifluoromethylthio)pyrazole-3-carbonitrile Formula: C12H5BrF6N4S MolecularWeight: 431.154319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Br)N2C(=C(C(=N2)C#N)SC(F)(F)F)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Br)N2C(=C(C(=N2)C#N)SC(F)(F)F)N

InChI

InChI=1S/C12H5BrF6N4S/c13-6-3-5(11(14,15)16)1-2-8(6)23-10(21)9(7(4-20)22-23)24-12(17,18)19/h1-3H,21H2