4-[2-bromanylbutyl(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-bromanylbutyl(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-bromobutyl(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[2-bromobutyl(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[2-bromobutyl(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[2-bromobutyl(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C13H14BrN5 MolecularWeight: 320.18776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C1=CC=C(C=C1)C#N)N2C=NN=C2)Br

Isomeric SMILES

CCC(CN(C1=CC=C(C=C1)C#N)N2C=NN=C2)Br

InChI

InChI=1S/C13H14BrN5/c1-2-12(14)8-19(18-9-16-17-10-18)13-5-3-11(7-15)4-6-13/h3-6,9-10,12H,2,8H2,1H3