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

Systemtic Name: 4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-5-(3-pyridyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-o-cumenyl-5-(3-pyridyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C26H28N6S MolecularWeight: 456.60572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCCC3C4=CN=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)CN3CCCC3C4=CN=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H28N6S/c1-19(2)22-10-3-4-11-24(22)32-25(21-9-6-14-28-17-21)29-31(26(32)33)18-30-15-7-12-23(30)20-8-5-13-27-16-20/h3-6,8-11,13-14,16-17,19,23H,7,12,15,18H2,1-2H3