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

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C21H22N5S2+ MolecularWeight: 408.56288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H21N5S2/c1-24-19(15-8-3-2-4-9-15)23-26(21(24)27)14-25-13-7-11-17(25)20-22-16-10-5-6-12-18(16)28-20/h2-6,8-10,12,17H,7,11,13-14H2,1H3/p+1/t17-/m1/s1