N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C14H16ClN5O3S2 MolecularWeight: 401.89154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C14H16ClN5O3S2/c15-11-4-3-10(25(22,23)20-5-1-2-6-20)7-12(11)18-13(21)8-24-14-16-9-17-19-14/h3-4,7,9H,1-2,5-6,8H2,(H,18,21)(H,16,17,19)