3-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1,2,3-triazol-1-yl)butanenitrile

Systemtic Name: 3-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1,2,3-triazol-1-yl)butanenitrile Openeye Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(triazol-1-yl)butanenitrile CAS Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1-triazolyl)butanenitrile IUPAC Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(triazol-1-yl)butanenitrile Traditional Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(triazol-1-yl)butyronitrile Formula: C14H15ClN4O MolecularWeight: 290.7481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(CN1C=CN=N1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C#N)C(CN1C=CN=N1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C14H15ClN4O/c1-13(2,9-16)14(20,10-19-8-7-17-18-19)11-3-5-12(15)6-4-11/h3-8,20H,10H2,1-2H3