2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[[4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-(tetrahydrofurfuryl)acetamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2CCCO2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O4S2/c1-2-26-20(16-7-5-9-18(13-16)32(28,29)25-10-3-4-11-25)23-24-21(26)31-15-19(27)22-14-17-8-6-12-30-17/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3,(H,22,27)