3-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H14FN5OS MolecularWeight: 355.389363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C17H14FN5OS/c18-14-4-6-15(7-5-14)24-10-16-21-22-17(23(16)20)25-11-13-3-1-2-12(8-13)9-19/h1-8H,10-11,20H2