5-azanyl-1-[3,5-bis(trifluoromethyl)phenyl]-1,2,3-triazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[3,5-bis(trifluoromethyl)phenyl]-1,2,3-triazole-4-carbonitrile Openeye Name: 5-amino-1-[3,5-bis(trifluoromethyl)phenyl]triazole-4-carbonitrile CAS Name: 5-amino-1-[3,5-bis(trifluoromethyl)phenyl]-4-triazolecarbonitrile IUPAC Name: 5-amino-1-[3,5-bis(trifluoromethyl)phenyl]triazole-4-carbonitrile Traditional Name: 5-amino-1-[3,5-bis(trifluoromethyl)phenyl]triazole-4-carbonitrile Formula: C11H5F6N5 MolecularWeight: 321.181319

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)N2C(=C(N=N2)C#N)N)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)N2C(=C(N=N2)C#N)N)C(F)(F)F

InChI

InChI=1S/C11H5F6N5/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)22-9(19)8(4-18)20-21-22/h1-3H,19H2