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

Systemtic Name: 5-(furan-2-yl)-4-phenyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-phenyl-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-phenyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-phenyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-phenyl-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5OS/c29-22-26(16-25-13-5-10-19(25)17-7-4-12-23-15-17)24-21(20-11-6-14-28-20)27(22)18-8-2-1-3-9-18/h1-4,6-9,11-12,14-15,19H,5,10,13,16H2