N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H20ClN5O3S2 MolecularWeight: 477.9875

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5O3S2/c21-16-9-8-15(31(28,29)26-10-4-5-11-26)12-17(16)22-18(27)13-30-20-23-19(24-25-20)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,27)(H,23,24,25)