4-chloranyl-1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole

Systemtic Name: 4-chloranyl-1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole Openeye Name: 4-chloro-1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole CAS Name: 4-chloro-1-(3-isothiocyanatopropyl)-3,5-dimethylpyrazole IUPAC Name: 4-chloro-1-(3-isothiocyanatopropyl)-3,5-dimethylpyrazole Traditional Name: 4-chloro-1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole Formula: C9H12ClN3S MolecularWeight: 229.72968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN=C=S)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN=C=S)C)Cl

InChI

InChI=1S/C9H12ClN3S/c1-7-9(10)8(2)13(12-7)5-3-4-11-6-14/h3-5H2,1-2H3