2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-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-ethyl-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-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-4-ethyl-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-ethyl-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-ethyl-5-phenyl-1,2,4-triazole-3-thione Formula: C22H24N5S2+ MolecularWeight: 422.58946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H23N5S2/c1-2-26-20(16-9-4-3-5-10-16)24-27(22(26)28)15-25-14-8-12-18(25)21-23-17-11-6-7-13-19(17)29-21/h3-7,9-11,13,18H,2,8,12,14-15H2,1H3/p+1/t18-/m1/s1