2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=C3C=CC=N4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=C3C=CC=N4)C5=CC=NC=C5

InChI

InChI=1S/C25H20N6O2S/c1-33-19-9-7-18(8-10-19)31-24(17-11-14-26-15-12-17)29-30-25(31)34-16-23(32)28-22-6-2-5-21-20(22)4-3-13-27-21/h2-15H,16H2,1H3,(H,28,32)