1,3-benzothiazol-2-ylmethyl-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3R)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3R)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[(5R)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-methyl-ammonium Formula: C22H21N4O2S2+ MolecularWeight: 437.55774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CO5

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3[C@H](CC(=N3)C4=CC=CS4)C5=CC=CO5

InChI

InChI=1S/C22H20N4O2S2/c1-25(13-21-23-15-6-2-3-8-20(15)30-21)14-22(27)26-17(18-7-4-10-28-18)12-16(24-26)19-9-5-11-29-19/h2-11,17H,12-14H2,1H3/p+1/t17-/m1/s1