4-ethyl-3-(3-methylbutylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(3-methylbutylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-isopentylsulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(3-methylbutylthio)-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(3-methylbutylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(isoamylthio)-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C19H28N4O2S2 MolecularWeight: 408.58122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN1C(=NN=C1SCCC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H28N4O2S2/c1-4-23-18(20-21-19(23)26-13-10-15(2)3)16-8-7-9-17(14-16)27(24,25)22-11-5-6-12-22/h7-9,14-15H,4-6,10-13H2,1-3H3