3-(4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-(4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 3-(4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 3-(4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 3-(4-hydroxyphenyl)-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C16H12N4O MolecularWeight: 276.29268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC(=C2)C#N)CN3C=NC=N3)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C#N)CN3C=NC=N3)O

InChI

InChI=1S/C16H12N4O/c17-8-12-5-13(9-20-11-18-10-19-20)7-15(6-12)14-1-3-16(21)4-2-14/h1-7,10-11,21H,9H2