2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylbenzofuran-2-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-2-benzofuranyl)ethanone IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylbenzofuran-2-yl)ethanone Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

InChI

InChI=1S/C21H19N3O2S2/c1-13-16-6-2-3-7-18(16)26-20(13)17(25)12-28-21-23-22-19(24(21)14-8-9-14)11-15-5-4-10-27-15/h2-7,10,14H,8-9,11-12H2,1H3