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

Systemtic Name: 4-[2-oxidanyl-4-phenyl-1-(1,2,4-triazol-1-yl)butyl]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-4-phenyl-1-(1,2,4-triazol-1-yl)butyl]benzonitrile CAS Name: 4-[2-hydroxy-4-phenyl-1-(1,2,4-triazol-1-yl)butyl]benzonitrile IUPAC Name: 4-[2-hydroxy-4-phenyl-1-(1,2,4-triazol-1-yl)butyl]benzonitrile Traditional Name: 4-[2-hydroxy-4-phenyl-1-(1,2,4-triazol-1-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)N3C=NC=N3)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(C2=CC=C(C=C2)C#N)N3C=NC=N3)O

InChI

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