2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C23H26N4O4S2 MolecularWeight: 486.60694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H26N4O4S2/c1-3-27-22(19-8-4-5-9-21(19)31-2)24-25-23(27)32-16-20(28)17-10-12-18(13-11-17)33(29,30)26-14-6-7-15-26/h4-5,8-13H,3,6-7,14-16H2,1-2H3