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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C18H19N3O2S/c1-13(2)11-21-17(16-9-6-10-23-16)19-20-18(21)24-12-15(22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3