ethyl 1-sulfanyl-2H-phthalazine-1-carboxylate

Systemtic Name: ethyl 1-sulfanyl-2H-phthalazine-1-carboxylate Openeye Name: ethyl 1-sulfanyl-2H-phthalazine-1-carboxylate CAS Name: 1-mercapto-2H-phthalazine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 1-sulfanyl-2H-phthalazine-1-carboxylate Traditional Name: 1-mercapto-2H-phthalazine-1-carboxylic acid ethyl ester Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C=NN1)S

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C=NN1)S

InChI

InChI=1S/C11H12N2O2S/c1-2-15-10(14)11(16)9-6-4-3-5-8(9)7-12-13-11/h3-7,13,16H,2H2,1H3