3-[[5-(2-oxidanylidene-2-piperidin-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-piperidin-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-(1-piperidyl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-[(2-keto-2-piperidino-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C23H23N5O2S2 MolecularWeight: 465.59102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C23H23N5O2S2/c29-21(26-13-7-2-8-14-26)16-31-22-25-24-20(28(22)17-9-3-1-4-10-17)15-27-18-11-5-6-12-19(18)32-23(27)30/h1,3-6,9-12H,2,7-8,13-16H2