ethyl 1-phenyl-4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylate

Systemtic Name: ethyl 1-phenyl-4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylate Openeye Name: ethyl 1-phenyl-4,6-dithioxo-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylate CAS Name: 1-phenyl-4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-4,6-bis(sulfanylidene)-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylate Traditional Name: 1-phenyl-4,6-dithioxo-2H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid ethyl ester Formula: C14H12N4O2S2 MolecularWeight: 332.40068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=S)NC(=S)N=C2N(N1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2C(=S)NC(=S)N=C2N(N1)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S2/c1-2-20-13(19)10-9-11(15-14(22)16-12(9)21)18(17-10)8-6-4-3-5-7-8/h3-7,17H,2H2,1H3,(H,16,21,22)