4-[(3-phenylazanyl-1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-phenylazanyl-1H-1,2,4-triazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-anilino-1H-1,2,4-triazol-5-yl)methyl]benzonitrile CAS Name: 4-[(3-anilino-1H-1,2,4-triazol-5-yl)methyl]benzonitrile IUPAC Name: 4-[(3-anilino-1H-1,2,4-triazol-5-yl)methyl]benzonitrile Traditional Name: 4-[(3-anilino-1H-1,2,4-triazol-5-yl)methyl]benzonitrile Formula: C16H13N5 MolecularWeight: 275.30792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NNC(=N2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NNC(=N2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H13N5/c17-11-13-8-6-12(7-9-13)10-15-19-16(21-20-15)18-14-4-2-1-3-5-14/h1-9H,10H2,(H2,18,19,20,21)