2-[3-bromanyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-bromanyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-bromo-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-bromo-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-bromo-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-bromo-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C13H13BrN4 MolecularWeight: 305.17312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)Br

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)Br

InChI

InChI=1S/C13H13BrN4/c1-13(2,7-15)11-3-10(4-12(14)5-11)6-18-9-16-8-17-18/h3-5,8-9H,6H2,1-2H3