5-(furan-2-yl)-3-hexylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(furan-2-yl)-3-hexylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(2-furyl)-3-hexylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(2-furanyl)-3-(hexylthio)-1H-1,2,4-triazole IUPAC Name: 5-(furan-2-yl)-3-hexylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(2-furyl)-3-(hexylthio)-1H-1,2,4-triazole Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)C2=CC=CO2

Isomeric SMILES

CCCCCCSC1=NNC(=N1)C2=CC=CO2

InChI

InChI=1S/C12H17N3OS/c1-2-3-4-5-9-17-12-13-11(14-15-12)10-7-6-8-16-10/h6-8H,2-5,9H2,1H3,(H,13,14,15)