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

Systemtic Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C20H28N6O4S2 MolecularWeight: 480.60412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28N6O4S2/c1-4-26-18(23-24-20(26)31-13-17(27)22-19(28)21-14(2)3)15-8-7-9-16(12-15)32(29,30)25-10-5-6-11-25/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H2,21,22,27,28)