4-[3,3-dimethyl-2-(1,2,4-triazol-1-ylcarbonyl)butyl]benzenecarbonitrile

Systemtic Name: 4-[3,3-dimethyl-2-(1,2,4-triazol-1-ylcarbonyl)butyl]benzenecarbonitrile Openeye Name: 4-[3,3-dimethyl-2-(1,2,4-triazole-1-carbonyl)butyl]benzonitrile CAS Name: 4-[3,3-dimethyl-2-[oxo(1,2,4-triazol-1-yl)methyl]butyl]benzonitrile IUPAC Name: 4-[3,3-dimethyl-2-(1,2,4-triazole-1-carbonyl)butyl]benzonitrile Traditional Name: 4-[3,3-dimethyl-2-(1,2,4-triazole-1-carbonyl)butyl]benzonitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC1=CC=C(C=C1)C#N)C(=O)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(CC1=CC=C(C=C1)C#N)C(=O)N2C=NC=N2

InChI

InChI=1S/C16H18N4O/c1-16(2,3)14(15(21)20-11-18-10-19-20)8-12-4-6-13(9-17)7-5-12/h4-7,10-11,14H,8H2,1-3H3