5-tert-butyl-3-prop-2-enylsulfanyl-1H-pyrazole

Systemtic Name: 5-tert-butyl-3-prop-2-enylsulfanyl-1H-pyrazole Openeye Name: 3-allylsulfanyl-5-tert-butyl-1H-pyrazole CAS Name: 5-tert-butyl-3-(prop-2-enylthio)-1H-pyrazole IUPAC Name: 5-tert-butyl-3-prop-2-enylsulfanyl-1H-pyrazole Traditional Name: 3-(allylthio)-5-tert-butyl-1H-pyrazole Formula: C10H16N2S MolecularWeight: 196.31244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)SCC=C

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)SCC=C

InChI

InChI=1S/C10H16N2S/c1-5-6-13-9-7-8(11-12-9)10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,12)