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

Systemtic Name: 4-[[3-[(4-chloranyl-3-oxidanyl-phenyl)methyl]-1,2,4-triazol-4-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-[(4-chloro-3-hydroxy-phenyl)methyl]-1,2,4-triazol-4-yl]amino]benzonitrile CAS Name: 4-[[3-[(4-chloro-3-hydroxyphenyl)methyl]-1,2,4-triazol-4-yl]amino]benzonitrile IUPAC Name: 4-[[3-[(4-chloro-3-hydroxyphenyl)methyl]-1,2,4-triazol-4-yl]amino]benzonitrile Traditional Name: 4-[[3-(4-chloro-3-hydroxy-benzyl)-1,2,4-triazol-4-yl]amino]benzonitrile Formula: C16H12ClN5O MolecularWeight: 325.75238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NN2C=NN=C2CC3=CC(=C(C=C3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NN2C=NN=C2CC3=CC(=C(C=C3)Cl)O

InChI

InChI=1S/C16H12ClN5O/c17-14-6-3-12(7-15(14)23)8-16-20-19-10-22(16)21-13-4-1-11(9-18)2-5-13/h1-7,10,21,23H,8H2