1-ethyl-4-[1-(3-isothiocyanatopropyl)pyrazol-3-yl]pyrazole

Systemtic Name: 1-ethyl-4-[1-(3-isothiocyanatopropyl)pyrazol-3-yl]pyrazole Openeye Name: 1-ethyl-4-[1-(3-isothiocyanatopropyl)pyrazol-3-yl]pyrazole CAS Name: 1-ethyl-4-[1-(3-isothiocyanatopropyl)-3-pyrazolyl]pyrazole IUPAC Name: 1-ethyl-4-[1-(3-isothiocyanatopropyl)pyrazol-3-yl]pyrazole Traditional Name: 1-ethyl-4-[1-(3-isothiocyanatopropyl)pyrazol-3-yl]pyrazole Formula: C12H15N5S MolecularWeight: 261.346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NN(C=C2)CCCN=C=S

Isomeric SMILES

CCN1C=C(C=N1)C2=NN(C=C2)CCCN=C=S

InChI

InChI=1S/C12H15N5S/c1-2-16-9-11(8-14-16)12-4-7-17(15-12)6-3-5-13-10-18/h4,7-9H,2-3,5-6H2,1H3