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

Systemtic Name: 4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propyl-furan-2-carbonitrile Openeye Name: 4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propyl-furan-2-carbonitrile CAS Name: 4-[[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-propyl-2-furancarbonitrile IUPAC Name: 4-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propylfuran-2-carbonitrile Traditional Name: 4-[[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-propyl-2-furonitrile Formula: C23H19FN4OS MolecularWeight: 418.486563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H19FN4OS/c1-2-7-21-17(13-20(14-25)29-21)15-30-23-27-26-22(16-8-6-9-18(24)12-16)28(23)19-10-4-3-5-11-19/h3-6,8-13H,2,7,15H2,1H3