3-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1H-1,2,4-triazol-5-yl)butanenitrile

Systemtic Name: 3-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1H-1,2,4-triazol-5-yl)butanenitrile Openeye Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1H-1,2,4-triazol-5-yl)butanenitrile CAS Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1H-1,2,4-triazol-5-yl)butanenitrile IUPAC Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1H-1,2,4-triazol-5-yl)butanenitrile Traditional Name: 3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1H-1,2,4-triazol-5-yl)butyronitrile Formula: C14H15ClN4O MolecularWeight: 290.7481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(CC1=NC=NN1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C#N)C(CC1=NC=NN1)(C2=CC=C(C=C2)Cl)O

InChI

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