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

Systemtic Name: 3-[(2-ethoxyphenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(2-ethoxyphenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(2-ethoxyphenyl)methylthio]-4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(2-ethoxyphenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-ethoxybenzyl)thio]-4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2OCC)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2OCC)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O3S2/c1-3-27-22(18-11-9-12-20(16-18)32(28,29)26-14-7-8-15-26)24-25-23(27)31-17-19-10-5-6-13-21(19)30-4-2/h5-6,9-13,16H,3-4,7-8,14-15,17H2,1-2H3