3-[[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-[(2-keto-2-pyrrolidino-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C22H21N5O2S2/c28-20(25-12-6-7-13-25)15-30-21-24-23-19(27(21)16-8-2-1-3-9-16)14-26-17-10-4-5-11-18(17)31-22(26)29/h1-5,8-11H,6-7,12-15H2