2-(4-chlorophenyl)-5-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(4-chlorophenyl)-5-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(4-chlorophenyl)-5-hydroxy-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(4-chlorophenyl)-5-hydroxy-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(4-chlorophenyl)-5-hydroxy-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(4-chlorophenyl)-5-hydroxy-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C15H17ClN4O MolecularWeight: 304.77468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O/c1-12(21)6-7-15(8-17,9-20-11-18-10-19-20)13-2-4-14(16)5-3-13/h2-5,10-12,21H,6-7,9H2,1H3