(1,2-diethyl-3-methyl-5-oxidanylidene-pyrazol-4-yl) thiocyanate

Systemtic Name: (1,2-diethyl-3-methyl-5-oxidanylidene-pyrazol-4-yl) thiocyanate Openeye Name: (1,2-diethyl-3-methyl-5-oxo-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (1,2-diethyl-3-methyl-5-oxo-4-pyrazolyl) ester IUPAC Name: (1,2-diethyl-3-methyl-5-oxopyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (1,2-diethyl-3-keto-5-methyl-3-pyrazolin-4-yl) ester Formula: C9H13N3OS MolecularWeight: 211.28402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1CC)SC#N)C

Isomeric SMILES

CCN1C(=C(C(=O)N1CC)SC#N)C

InChI

InChI=1S/C9H13N3OS/c1-4-11-7(3)8(14-6-10)9(13)12(11)5-2/h4-5H2,1-3H3