3-fluoranyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-fluoro-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-fluoro-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H11FN4S MolecularWeight: 310.348743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C16H11FN4S/c17-15-8-12(9-18)6-7-13(15)10-22-16-20-19-11-21(16)14-4-2-1-3-5-14/h1-8,11H,10H2