4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-hydroxyphenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C16H12N4O MolecularWeight: 276.29268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)O)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)O)N3C=NC=N3

InChI

InChI=1S/C16H12N4O/c17-9-12-1-3-13(4-2-12)16(20-11-18-10-19-20)14-5-7-15(21)8-6-14/h1-8,10-11,16,21H