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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23ClN4O2S2/c1-2-26-20(23-24-21(26)29-15-16-8-10-18(22)11-9-16)17-6-5-7-19(14-17)30(27,28)25-12-3-4-13-25/h5-11,14H,2-4,12-13,15H2,1H3