4-phenethyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=CC=N3

InChI

InChI=1S/C16H16N4OS/c21-15-18-19-16(22-12-14-8-4-5-10-17-14)20(15)11-9-13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,18,21)