2-(4-iodophenyl)-2-(1,2,4-triazol-4-ylmethyl)undecanenitrile

Systemtic Name: 2-(4-iodophenyl)-2-(1,2,4-triazol-4-ylmethyl)undecanenitrile Openeye Name: 2-(4-iodophenyl)-2-(1,2,4-triazol-4-ylmethyl)undecanenitrile CAS Name: 2-(4-iodophenyl)-2-(1,2,4-triazol-4-ylmethyl)undecanenitrile IUPAC Name: 2-(4-iodophenyl)-2-(1,2,4-triazol-4-ylmethyl)undecanenitrile Traditional Name: 2-(4-iodophenyl)-2-(1,2,4-triazol-4-ylmethyl)undecanenitrile Formula: C20H27IN4 MolecularWeight: 450.35965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CN1C=NN=C1)(C#N)C2=CC=C(C=C2)I

Isomeric SMILES

CCCCCCCCCC(CN1C=NN=C1)(C#N)C2=CC=C(C=C2)I

InChI

InChI=1S/C20H27IN4/c1-2-3-4-5-6-7-8-13-20(14-22,15-25-16-23-24-17-25)18-9-11-19(21)12-10-18/h9-12,16-17H,2-8,13,15H2,1H3