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

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H21N5S2 MolecularWeight: 407.55494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5S2/c27-21-25(17-8-2-1-3-9-17)14-22-26(21)15-24-12-6-7-16(13-24)20-23-18-10-4-5-11-19(18)28-20/h1-5,8-11,14,16H,6-7,12-13,15H2/t16-/m1/s1