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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S2/c25-19(14-28-20-22-21-15-24(20)17-6-2-1-3-7-17)16-8-10-18(11-9-16)29(26,27)23-12-4-5-13-23/h1-3,6-11,15H,4-5,12-14H2