4-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(3-chloro-4-hydroxy-5-methoxy-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O2/c1-25-16-7-13(6-15(18)17(16)24)9-23(22-10-20-21-11-22)14-4-2-12(8-19)3-5-14/h2-7,10-11,24H,9H2,1H3