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

Systemtic Name: 2-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 2-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 2-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 2-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=C(C=C(C=C2)CN3C=NC=N3)C#N

Isomeric SMILES

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

InChI

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