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

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyridin-2-yl-ethanone Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-pyridyl)ethanone CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-pyridinyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyridin-2-ylethanone Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2-pyridyl)ethanone Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4OS/c1-20-15(12-7-3-2-4-8-12)18-19-16(20)22-11-14(21)13-9-5-6-10-17-13/h2-10H,11H2,1H3