1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoranyl-pyrrole-2-carbonitrile

Systemtic Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoranyl-pyrrole-2-carbonitrile Openeye Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoro-pyrrole-2-carbonitrile CAS Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoro-2-pyrrolecarbonitrile IUPAC Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoropyrrole-2-carbonitrile Traditional Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-fluoro-pyrrole-2-carbonitrile Formula: C22H26FN5 MolecularWeight: 379.473743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C(=CC=C3F)C#N

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C(=CC=C3F)C#N

InChI

InChI=1S/C22H26FN5/c1-3-5-7-21-25-22(8-6-4-2)27(26-21)16-17-9-11-18(12-10-17)28-19(15-24)13-14-20(28)23/h9-14H,3-8,16H2,1-2H3