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

Systemtic Name: 4-propyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-propyl-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-propyl-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-propyl-3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-one Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC=N2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC=N2

InChI

InChI=1S/C11H14N4OS/c1-2-7-15-10(16)13-14-11(15)17-8-9-5-3-4-6-12-9/h3-6H,2,7-8H2,1H3,(H,13,16)