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

Systemtic Name: 2-[3-(chloromethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(chloromethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(chloromethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(chloromethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(chloromethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C14H15ClN4 MolecularWeight: 274.7487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4/c1-14(2,8-16)13-4-11(6-15)3-12(5-13)7-19-10-17-9-18-19/h3-5,9-10H,6-7H2,1-2H3