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

Systemtic Name: 2-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC=CO4

InChI

InChI=1S/C22H18N4OS/c1-2-26-21(20-8-5-13-27-20)24-25-22(26)28-15-16-9-11-17(12-10-16)19-7-4-3-6-18(19)14-23/h3-13H,2,15H2,1H3