5-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 5-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]-2-oxidanyl-benzenecarbonitrile Openeye Name: 5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-2-hydroxy-benzonitrile CAS Name: 5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-2-hydroxybenzonitrile IUPAC Name: 5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-2-hydroxybenzonitrile Traditional Name: 5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-2-hydroxy-benzonitrile Formula: C17H12N6O MolecularWeight: 316.31678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)O)C#N)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC(=C(C=C2)O)C#N)N3C=NN=C3

InChI

InChI=1S/C17H12N6O/c18-8-13-1-4-16(5-2-13)23(22-11-20-21-12-22)10-14-3-6-17(24)15(7-14)9-19/h1-7,11-12,24H,10H2