2-[3-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-5-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-5-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propionitrile Formula: C17H21N6+ MolecularWeight: 309.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=[N+](C=N2)N)C(C)(C)C#N

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=[N+](C=N2)N)C(C)(C)C#N

InChI

InChI=1S/C17H21N6/c1-16(2,9-18)14-5-13(8-23-12-22(20)11-21-23)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8,20H2,1-4H3/q+1