2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CN=CC=C4

InChI

InChI=1S/C20H22N6O3S2/c1-25-19(15-6-5-9-21-13-15)23-24-20(25)30-14-18(27)22-16-7-4-8-17(12-16)31(28,29)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,22,27)