2-(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 2-(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 2-(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 2-(3-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C16H11ClN4 MolecularWeight: 294.73834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4/c17-15-3-1-2-13(7-15)16-6-12(4-5-14(16)8-18)9-21-11-19-10-20-21/h1-7,10-11H,9H2