2-[(4-bromophenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-bromophenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-bromophenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 2-[(4-bromophenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 2-[(4-bromophenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 2-[(4-bromophenyl)-(1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C16H11BrN4 MolecularWeight: 339.18934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(C2=CC=C(C=C2)Br)C3=NC=NN3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(C2=CC=C(C=C2)Br)C3=NC=NN3

InChI

InChI=1S/C16H11BrN4/c17-13-7-5-11(6-8-13)15(16-19-10-20-21-16)14-4-2-1-3-12(14)9-18/h1-8,10,15H,(H,19,20,21)