3,5-bis(2-cyanopropan-2-yl)-4-methyl-2-(1,2,4-triazol-1-yl)benzenecarbonitrile

Systemtic Name: 3,5-bis(2-cyanopropan-2-yl)-4-methyl-2-(1,2,4-triazol-1-yl)benzenecarbonitrile Openeye Name: 3,5-bis(1-cyano-1-methyl-ethyl)-4-methyl-2-(1,2,4-triazol-1-yl)benzonitrile CAS Name: 3,5-bis(2-cyanopropan-2-yl)-4-methyl-2-(1,2,4-triazol-1-yl)benzonitrile IUPAC Name: 3,5-bis(2-cyanopropan-2-yl)-4-methyl-2-(1,2,4-triazol-1-yl)benzonitrile Traditional Name: 3,5-bis(1-cyano-1-methyl-ethyl)-4-methyl-2-(1,2,4-triazol-1-yl)benzonitrile Formula: C18H18N6 MolecularWeight: 318.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(C)(C)C#N)N2C=NC=N2)C#N)C(C)(C)C#N

Isomeric SMILES

CC1=C(C=C(C(=C1C(C)(C)C#N)N2C=NC=N2)C#N)C(C)(C)C#N

InChI

InChI=1S/C18H18N6/c1-12-14(17(2,3)8-20)6-13(7-19)16(24-11-22-10-23-24)15(12)18(4,5)9-21/h6,10-11H,1-5H3