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

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C21H21N5S2 MolecularWeight: 407.55494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N5S2/c1-15-23-25(21(27)26(15)16-8-3-2-4-9-16)14-24-13-7-11-18(24)20-22-17-10-5-6-12-19(17)28-20/h2-6,8-10,12,18H,7,11,13-14H2,1H3/t18-/m1/s1