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

Systemtic Name: 5-phenyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H19N5S MolecularWeight: 337.44196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5S/c24-18-20-17(14-6-2-1-3-7-14)21-23(18)13-22-11-5-9-16(22)15-8-4-10-19-12-15/h1-4,6-8,10,12,16H,5,9,11,13H2,(H,20,21,24)