4-[(4-methoxy-3-oxidanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-methoxy-3-oxidanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-hydroxy-4-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-hydroxy-4-methoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-hydroxy-4-methoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(3-hydroxy-4-methoxy-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H15N5O2 MolecularWeight: 321.3333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)O

InChI

InChI=1S/C17H15N5O2/c1-24-17-7-4-14(8-16(17)23)10-22(21-11-19-20-12-21)15-5-2-13(9-18)3-6-15/h2-8,11-12,23H,10H2,1H3