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

Systemtic Name: 4-[2-oxidanyl-1-(1H-1,2,4-triazol-5-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-1-(1H-1,2,4-triazol-5-yl)ethyl]benzonitrile CAS Name: 4-[2-hydroxy-1-(1H-1,2,4-triazol-5-yl)ethyl]benzonitrile IUPAC Name: 4-[2-hydroxy-1-(1H-1,2,4-triazol-5-yl)ethyl]benzonitrile Traditional Name: 4-[2-hydroxy-1-(1H-1,2,4-triazol-5-yl)ethyl]benzonitrile Formula: C11H10N4O MolecularWeight: 214.2233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CO)C2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CO)C2=NC=NN2

InChI

InChI=1S/C11H10N4O/c12-5-8-1-3-9(4-2-8)10(6-16)11-13-7-14-15-11/h1-4,7,10,16H,6H2,(H,13,14,15)