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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S2/c26-18(14-29-20-22-19(23-24-20)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)30(27,28)25-11-4-5-12-25/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,26)(H,22,23,24)