4-[2-oxidanyl-4-phenyl-1-(1H-1,2,4-triazol-5-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-4-phenyl-1-(1H-1,2,4-triazol-5-yl)butyl]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-4-phenyl-1-(1H-1,2,4-triazol-5-yl)butyl]benzonitrile CAS Name: 4-[2-hydroxy-4-phenyl-1-(1H-1,2,4-triazol-5-yl)butyl]benzonitrile IUPAC Name: 4-[2-hydroxy-4-phenyl-1-(1H-1,2,4-triazol-5-yl)butyl]benzonitrile Traditional Name: 4-[2-hydroxy-4-phenyl-1-(1H-1,2,4-triazol-5-yl)butyl]benzonitrile Formula: C19H18N4O MolecularWeight: 318.37242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(C2=CC=C(C=C2)C#N)C3=NC=NN3)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(C2=CC=C(C=C2)C#N)C3=NC=NN3)O

InChI

InChI=1S/C19H18N4O/c20-12-15-6-9-16(10-7-15)18(19-21-13-22-23-19)17(24)11-8-14-4-2-1-3-5-14/h1-7,9-10,13,17-18,24H,8,11H2,(H,21,22,23)