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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)CN2C=NC=N2)(C#N)Br

Isomeric SMILES

CC(CC1=CC(=CC=C1)CN2C=NC=N2)(C#N)Br

InChI

InChI=1S/C13H13BrN4/c1-13(14,8-15)6-11-3-2-4-12(5-11)7-18-10-16-9-17-18/h2-5,9-10H,6-7H2,1H3