5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(5-bromo-2-furyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(5-bromo-2-furanyl)-4-(phenylmethyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(5-bromofuran-2-yl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(5-bromo-2-furyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C23H22BrN5OS MolecularWeight: 496.42268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=C(O3)Br)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=C(O3)Br)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H22BrN5OS/c24-21-11-10-20(30-21)22-26-29(23(31)28(22)15-17-6-2-1-3-7-17)16-27-13-5-9-19(27)18-8-4-12-25-14-18/h1-4,6-8,10-12,14,19H,5,9,13,15-16H2