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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC(=O)C3=CC=CC=C3

InChI

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