2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H19N5S2 MolecularWeight: 393.52836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N5S2/c26-20-22-18(14-7-2-1-3-8-14)23-25(20)13-24-12-6-10-16(24)19-21-15-9-4-5-11-17(15)27-19/h1-5,7-9,11,16H,6,10,12-13H2,(H,22,23,26)/t16-/m1/s1