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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2/c1-24-17-8-14(4-7-16(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