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

Systemtic Name: 5-(furan-2-yl)-4-(phenylmethyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-furyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-(phenylmethyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(furan-2-yl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-furyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5OS/c30-23-27(16-18-7-2-1-3-8-18)22(21-11-6-14-29-21)25-28(23)17-26-13-5-10-20(26)19-9-4-12-24-15-19/h1-4,6-9,11-12,14-15,20H,5,10,13,16-17H2