ethyl 5-azanyl-3-phenyl-4-thiocyanato-pyrazole-1-carboxylate

Systemtic Name: ethyl 5-azanyl-3-phenyl-4-thiocyanato-pyrazole-1-carboxylate Openeye Name: ethyl 5-amino-3-phenyl-4-thiocyanato-pyrazole-1-carboxylate CAS Name: 5-amino-3-phenyl-4-thiocyanato-1-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-phenyl-4-thiocyanatopyrazole-1-carboxylate Traditional Name: 5-amino-3-phenyl-4-thiocyanato-pyrazole-1-carboxylic acid ethyl ester Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=C(C(=N1)C2=CC=CC=C2)SC#N)N

Isomeric SMILES

CCOC(=O)N1C(=C(C(=N1)C2=CC=CC=C2)SC#N)N

InChI

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