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

Systemtic Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CO3

InChI

InChI=1S/C16H14N4OS/c1-2-20-15(14-7-4-8-21-14)18-19-16(20)22-11-13-6-3-5-12(9-13)10-17/h3-9H,2,11H2,1H3