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

Systemtic Name: 1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole Openeye Name: 1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole CAS Name: 1-(3-isothiocyanatopropyl)-3,5-dimethylpyrazole IUPAC Name: 1-(3-isothiocyanatopropyl)-3,5-dimethylpyrazole Traditional Name: 1-(3-isothiocyanatopropyl)-3,5-dimethyl-pyrazole Formula: C9H13N3S MolecularWeight: 195.28462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN=C=S)C

Isomeric SMILES

CC1=CC(=NN1CCCN=C=S)C

InChI

InChI=1S/C9H13N3S/c1-8-6-9(2)12(11-8)5-3-4-10-7-13/h6H,3-5H2,1-2H3