4-[(3-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-hydroxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(3-hydroxybenzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C16H13N5O MolecularWeight: 291.30732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O/c17-9-13-4-6-15(7-5-13)21(20-11-18-19-12-20)10-14-2-1-3-16(22)8-14/h1-8,11-12,22H,10H2