2-(2H-1,2,3,4-tetrazol-5-yl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enenitrile

Systemtic Name: 2-(2H-1,2,3,4-tetrazol-5-yl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enenitrile Openeye Name: 3-(1,1,3,3-tetramethylbutylamino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile CAS Name: 2-(2H-tetrazol-5-yl)-3-(2,4,4-trimethylpentan-2-ylamino)-2-propenenitrile IUPAC Name: 2-(2H-tetrazol-5-yl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enenitrile Traditional Name: 3-(1,1,3,3-tetramethylbutylamino)-2-(2H-tetrazol-5-yl)acrylonitrile Formula: C12H20N6 MolecularWeight: 248.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC=C(C#N)C1=NNN=N1

Isomeric SMILES

CC(C)(C)CC(C)(C)NC=C(C#N)C1=NNN=N1

InChI

InChI=1S/C12H20N6/c1-11(2,3)8-12(4,5)14-7-9(6-13)10-15-17-18-16-10/h7,14H,8H2,1-5H3,(H,15,16,17,18)