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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)acetamide Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C20H16N6OS/c27-18(23-17-10-4-5-12-22-17)14-28-20-25-24-19(15-7-6-11-21-13-15)26(20)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,23,27)