3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C21H23ClN4O2S2 MolecularWeight: 463.01592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23ClN4O2S2/c1-2-26-20(23-24-21(26)29-15-17-8-3-4-11-19(17)22)16-9-7-10-18(14-16)30(27,28)25-12-5-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3