5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H24N5OS3+ MolecularWeight: 470.65386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)O

InChI

InChI=1S/C22H23N5OS3/c28-17-9-6-12-25(13-17)15-26-22(29)27(16-7-2-1-3-8-16)20(24-26)14-30-21-23-18-10-4-5-11-19(18)31-21/h1-5,7-8,10-11,17,28H,6,9,12-15H2/p+1/t17-/m0/s1