2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H19N3O2S/c1-2-25-21(20-9-6-14-27-20)23-24-22(25)28-15-19(26)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-14H,2,15H2,1H3