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

Systemtic Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O3S2/c1-15(19(22)27)30-21-24-23-20(26(21)17-9-3-2-4-10-17)16-8-7-11-18(14-16)31(28,29)25-12-5-6-13-25/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,22,27)