3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(2-pyridyl)ethyl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(2-pyridinyl)ethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-oxo-2-pyridin-2-ylethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(2-pyridyl)ethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SCC(=O)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SCC(=O)C3=CC=CC=N3

InChI

InChI=1S/C15H12N4O2S/c20-13(12-8-4-5-9-16-12)10-22-15-18-17-14(21)19(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)