4-[1-(2-isothiocyanatoethyl)pyrazol-3-yl]-1,5-dimethyl-pyrazole

Systemtic Name: 4-[1-(2-isothiocyanatoethyl)pyrazol-3-yl]-1,5-dimethyl-pyrazole Openeye Name: 4-[1-(2-isothiocyanatoethyl)pyrazol-3-yl]-1,5-dimethyl-pyrazole CAS Name: 4-[1-(2-isothiocyanatoethyl)-3-pyrazolyl]-1,5-dimethylpyrazole IUPAC Name: 4-[1-(2-isothiocyanatoethyl)pyrazol-3-yl]-1,5-dimethylpyrazole Traditional Name: 4-[1-(2-isothiocyanatoethyl)pyrazol-3-yl]-1,5-dimethyl-pyrazole Formula: C11H13N5S MolecularWeight: 247.31942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C2=NN(C=C2)CCN=C=S

Isomeric SMILES

CC1=C(C=NN1C)C2=NN(C=C2)CCN=C=S

InChI

InChI=1S/C11H13N5S/c1-9-10(7-13-15(9)2)11-3-5-16(14-11)6-4-12-8-17/h3,5,7H,4,6H2,1-2H3