4-(2,6-diethylphenyl)-5-pyridin-3-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,6-diethylphenyl)-5-pyridin-3-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2,6-diethylphenyl)-5-(3-pyridyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2,6-diethylphenyl)-5-(3-pyridinyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2,6-diethylphenyl)-5-pyridin-3-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2,6-diethylphenyl)-5-(3-pyridyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C27H30N6S MolecularWeight: 470.6323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCCC3C4=CN=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCCC3C4=CN=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H30N6S/c1-3-20-9-5-10-21(4-2)25(20)33-26(23-12-7-15-29-18-23)30-32(27(33)34)19-31-16-8-13-24(31)22-11-6-14-28-17-22/h5-7,9-12,14-15,17-18,24H,3-4,8,13,16,19H2,1-2H3