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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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