2-(4-bromophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(4-bromophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(4-bromophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(4-bromophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(4-bromophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(4-bromophenyl)-4-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C19H16BrFN4 MolecularWeight: 399.259543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=NC=N2)(C#N)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C19H16BrFN4/c20-17-5-3-16(4-6-17)19(11-22,12-25-14-23-13-24-25)10-9-15-1-7-18(21)8-2-15/h1-8,13-14H,9-10,12H2