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

Systemtic Name: 4-butyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-one Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=CC=N2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC=N2

InChI

InChI=1S/C12H16N4OS/c1-2-3-8-16-11(17)14-15-12(16)18-9-10-6-4-5-7-13-10/h4-7H,2-3,8-9H2,1H3,(H,14,17)