3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c26-19(17-8-10-18(11-9-17)31(28,29)24-12-4-5-13-24)15-30-21-23-22-20(27)25(21)14-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,27)