4-[5-bromanylpentyl(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[5-bromanylpentyl(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[5-bromopentyl(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[5-bromopentyl(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[5-bromopentyl(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[5-bromopentyl(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C14H16BrN5 MolecularWeight: 334.21434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CCCCCBr)N2C=NN=C2

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CCCCCBr)N2C=NN=C2

InChI

InChI=1S/C14H16BrN5/c15-8-2-1-3-9-20(19-11-17-18-12-19)14-6-4-13(10-16)5-7-14/h4-7,11-12H,1-3,8-9H2