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

Systemtic Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-methyl-2-benzofuranyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H23N3O2S MolecularWeight: 405.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S/c1-15(2)13-26-22(21-16(3)18-11-7-8-12-20(18)28-21)24-25-23(26)29-14-19(27)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3