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

Systemtic Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[1-(2-chlorophenyl)ethylthio]-4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[1-(2-chlorophenyl)ethylthio]-4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C22H25ClN4O2S2 MolecularWeight: 477.0425

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C2=CC=CC=C2Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C2=CC=CC=C2Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25ClN4O2S2/c1-3-27-21(24-25-22(27)30-16(2)19-11-4-5-12-20(19)23)17-9-8-10-18(15-17)31(28,29)26-13-6-7-14-26/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3