2-[4-[(5-butyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-butyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-butyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[(5-butyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-butyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-butyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzonitrile Formula: C25H23N5 MolecularWeight: 393.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=NC=C4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=NC=C4

InChI

InChI=1S/C25H23N5/c1-2-3-8-24-28-25(21-13-15-27-16-14-21)29-30(24)18-19-9-11-20(12-10-19)23-7-5-4-6-22(23)17-26/h4-7,9-16H,2-3,8,18H2,1H3