2-[4-(2-bromanylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)pent-4-enenitrile

Systemtic Name: 2-[4-(2-bromanylethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)pent-4-enenitrile Openeye Name: 2-[4-(2-bromoethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)pent-4-enenitrile CAS Name: 2-[4-(2-bromoethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4-pentenenitrile IUPAC Name: 2-[4-(2-bromoethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)pent-4-enenitrile Traditional Name: 2-[4-(2-bromoethynyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)pent-4-enenitrile Formula: C16H13BrN4 MolecularWeight: 341.20522

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)C#CBr

Isomeric SMILES

C=CCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)C#CBr

InChI

InChI=1S/C16H13BrN4/c1-2-8-16(10-18,11-21-13-19-12-20-21)15-5-3-14(4-6-15)7-9-17/h2-6,12-13H,1,8,11H2