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

Systemtic Name: 4-(phenylmethyl)-5-pyridin-4-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(4-pyridyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-5-pyridin-4-yl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-pyridin-4-yl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(4-pyridyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C24H24N6S MolecularWeight: 428.55256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C24H24N6S/c31-24-29(17-19-6-2-1-3-7-19)23(20-10-13-25-14-11-20)27-30(24)18-28-15-5-9-22(28)21-8-4-12-26-16-21/h1-4,6-8,10-14,16,22H,5,9,15,17-18H2