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

Systemtic Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(2-fluorophenyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C21H22FN5S MolecularWeight: 395.496283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H22FN5S/c22-18-7-2-1-6-17(18)20-24-26(21(28)27(20)16-9-10-16)14-25-12-4-8-19(25)15-5-3-11-23-13-15/h1-3,5-7,11,13,16,19H,4,8-10,12,14H2