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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-yl-ethanamide Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-quinolyl)acetamide CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-N-(4-quinolinyl)acetamide IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-quinolyl)acetamide Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C18H14N6OS/c25-16(21-15-7-10-20-14-4-2-1-3-13(14)15)11-26-18-22-17(23-24-18)12-5-8-19-9-6-12/h1-10H,11H2,(H,20,21,25)(H,22,23,24)