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

Systemtic Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C14H11N3O2S MolecularWeight: 285.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3

InChI

InChI=1S/C14H11N3O2S/c18-11(10-5-2-1-3-6-10)9-20-14-15-13(16-17-14)12-7-4-8-19-12/h1-8H,9H2,(H,15,16,17)