3-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H15FN4S MolecularWeight: 386.444703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H15FN4S/c23-19-9-5-8-18(13-19)21-25-26-22(27(21)20-10-2-1-3-11-20)28-15-17-7-4-6-16(12-17)14-24/h1-13H,15H2