5-tert-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-(2-furylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-(2-furanylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-(2-furfurylthio)-1H-1,2,4-triazole Formula: C11H15N3OS MolecularWeight: 237.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CC=CO2

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC=CO2

InChI

InChI=1S/C11H15N3OS/c1-11(2,3)9-12-10(14-13-9)16-7-8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H,12,13,14)