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

Systemtic Name: 3-[3-(2-cyanopropyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 3-[3-(2-cyanopropyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 3-[3-(2-cyanopropyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 3-[3-(2-cyanopropyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 3-[3-(2-cyanopropyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile Formula: C17H19N5 MolecularWeight: 293.36626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5/c1-13(8-18)3-15-5-16(4-14(2)9-19)7-17(6-15)10-22-12-20-11-21-22/h5-7,11-14H,3-4,10H2,1-2H3