2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl thiocyanate

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl thiocyanate Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl thiocyanate CAS Name: thiocyanic acid 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl ester IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl ester Formula: C8H11N3S MolecularWeight: 181.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCSC#N

Isomeric SMILES

CC1=C(C(=NN1)C)CCSC#N

InChI

InChI=1S/C8H11N3S/c1-6-8(3-4-12-5-9)7(2)11-10-6/h3-4H2,1-2H3,(H,10,11)