4-bromanyl-1-(2-isothiocyanatoethyl)-3-methyl-pyrazole

Systemtic Name: 4-bromanyl-1-(2-isothiocyanatoethyl)-3-methyl-pyrazole Openeye Name: 4-bromo-1-(2-isothiocyanatoethyl)-3-methyl-pyrazole CAS Name: 4-bromo-1-(2-isothiocyanatoethyl)-3-methylpyrazole IUPAC Name: 4-bromo-1-(2-isothiocyanatoethyl)-3-methylpyrazole Traditional Name: 4-bromo-1-(2-isothiocyanatoethyl)-3-methyl-pyrazole Formula: C7H8BrN3S MolecularWeight: 246.12752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCN=C=S

Isomeric SMILES

CC1=NN(C=C1Br)CCN=C=S

InChI

InChI=1S/C7H8BrN3S/c1-6-7(8)4-11(10-6)3-2-9-5-12/h4H,2-3H2,1H3