2-(1,2,4-triazol-4-ylmethyl)-2-[4-(trichloromethyl)phenyl]pentanenitrile

Systemtic Name: 2-(1,2,4-triazol-4-ylmethyl)-2-[4-(trichloromethyl)phenyl]pentanenitrile Openeye Name: 2-(1,2,4-triazol-4-ylmethyl)-2-[4-(trichloromethyl)phenyl]pentanenitrile CAS Name: 2-(1,2,4-triazol-4-ylmethyl)-2-[4-(trichloromethyl)phenyl]pentanenitrile IUPAC Name: 2-(1,2,4-triazol-4-ylmethyl)-2-[4-(trichloromethyl)phenyl]pentanenitrile Traditional Name: 2-(1,2,4-triazol-4-ylmethyl)-2-[4-(trichloromethyl)phenyl]valeronitrile Formula: C15H15Cl3N4 MolecularWeight: 357.6654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NN=C1)(C#N)C2=CC=C(C=C2)C(Cl)(Cl)Cl

Isomeric SMILES

CCCC(CN1C=NN=C1)(C#N)C2=CC=C(C=C2)C(Cl)(Cl)Cl

InChI

InChI=1S/C15H15Cl3N4/c1-2-7-14(8-19,9-22-10-20-21-11-22)12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11H,2,7,9H2,1H3