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

Systemtic Name: 3-(4-chlorophenyl)-2-methyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butanenitrile Openeye Name: 3-(4-chlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile CAS Name: 3-(4-chlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile IUPAC Name: 3-(4-chlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile Traditional Name: 3-(4-chlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butyronitrile Formula: C13H13ClN4O MolecularWeight: 276.72152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O/c1-10(6-15)13(19,7-18-9-16-8-17-18)11-2-4-12(14)5-3-11/h2-5,8-10,19H,7H2,1H3