(3-methyl-5-oxidanylidene-1-phenyl-2-propyl-pyrazol-4-yl) thiocyanate

Systemtic Name: (3-methyl-5-oxidanylidene-1-phenyl-2-propyl-pyrazol-4-yl) thiocyanate Openeye Name: (3-methyl-5-oxo-1-phenyl-2-propyl-pyrazol-4-yl) thiocyanate CAS Name: thiocyanic acid (3-methyl-5-oxo-1-phenyl-2-propyl-4-pyrazolyl) ester IUPAC Name: (3-methyl-5-oxo-1-phenyl-2-propylpyrazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (5-keto-3-methyl-1-phenyl-2-propyl-3-pyrazolin-4-yl) ester Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N1C2=CC=CC=C2)SC#N)C

Isomeric SMILES

CCCN1C(=C(C(=O)N1C2=CC=CC=C2)SC#N)C

InChI

InChI=1S/C14H15N3OS/c1-3-9-16-11(2)13(19-10-15)14(18)17(16)12-7-5-4-6-8-12/h4-8H,3,9H2,1-2H3