ethyl N-(5-phenyl-4-thiocyanato-1H-pyrazol-3-yl)carbamate

Systemtic Name: ethyl N-(5-phenyl-4-thiocyanato-1H-pyrazol-3-yl)carbamate Openeye Name: ethyl N-(5-phenyl-4-thiocyanato-1H-pyrazol-3-yl)carbamate CAS Name: N-(5-phenyl-4-thiocyanato-1H-pyrazol-3-yl)carbamic acid ethyl ester IUPAC Name: ethyl N-(5-phenyl-4-thiocyanato-1H-pyrazol-3-yl)carbamate Traditional Name: N-(5-phenyl-4-thiocyanato-1H-pyrazol-3-yl)carbamic acid ethyl ester Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NNC(=C1SC#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)NC1=NNC(=C1SC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H12N4O2S/c1-2-19-13(18)15-12-11(20-8-14)10(16-17-12)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H2,15,16,17,18)