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

Systemtic Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H14F2N4S MolecularWeight: 404.435166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C22H14F2N4S/c23-18-6-4-17(5-7-18)21-26-27-22(28(21)20-10-8-19(24)9-11-20)29-14-16-3-1-2-15(12-16)13-25/h1-12H,14H2