2-[(4-chloranylphenoxy)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-butanenitrile

Systemtic Name: 2-[(4-chloranylphenoxy)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-butanenitrile Openeye Name: 2-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-butanenitrile CAS Name: 2-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethylbutanenitrile IUPAC Name: 2-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethylbutanenitrile Traditional Name: 2-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-butyronitrile Formula: C15H17ClN4O MolecularWeight: 304.77468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C#N)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(C#N)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN4O/c1-15(2,3)13(8-17)14(20-10-18-9-19-20)21-12-6-4-11(16)5-7-12/h4-7,9-10,13-14H,1-3H3