4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C20H18N5O2S2- MolecularWeight: 424.51922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CN4C(=NN=C4[S-])C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CN4C(=NN=C4[S-])C5=CC=CS5

InChI

InChI=1S/C20H19N5O2S2/c26-17(12-25-18(22-23-20(25)28)16-6-3-11-29-16)24-9-7-13(8-10-24)19-21-14-4-1-2-5-15(14)27-19/h1-6,11,13H,7-10,12H2,(H,23,28)/p-1