2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C)C5=CC=NC=C5

InChI

InChI=1S/C27H28N6OS/c1-19-5-7-22(8-6-19)33-26(21-11-13-28-14-12-21)30-31-27(33)35-18-25(34)29-24-10-9-23(17-20(24)2)32-15-3-4-16-32/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,29,34)