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

Systemtic Name: 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C16H12N4 MolecularWeight: 260.29328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4/c17-9-13-6-14(10-20-12-18-11-19-20)8-16(7-13)15-4-2-1-3-5-15/h1-8,11-12H,10H2