1,3-benzothiazol-2-ylmethyl-methyl-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-[(2-oxopyrrolidin-1-yl)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-[(2-oxo-1-pyrrolidinyl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-[(2-oxopyrrolidin-1-yl)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5-[(2-ketopyrrolidino)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-methyl-ammonium Formula: C17H20N5O2S2+ MolecularWeight: 390.503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)OC(=N3)CN4CCCC4=O

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=S)OC(=N3)CN4CCCC4=O

InChI

InChI=1S/C17H19N5O2S2/c1-20(10-15-18-12-5-2-3-6-13(12)26-15)11-22-17(25)24-14(19-22)9-21-8-4-7-16(21)23/h2-3,5-6H,4,7-11H2,1H3/p+1