methyl 3-(phthalazin-1-ylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: methyl 3-(phthalazin-1-ylsulfanylmethyl)furan-2-carboxylate Openeye Name: methyl 3-(phthalazin-1-ylsulfanylmethyl)furan-2-carboxylate CAS Name: 3-[(1-phthalazinylthio)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-(phthalazin-1-ylsulfanylmethyl)furan-2-carboxylate Traditional Name: 3-[(phthalazin-1-ylthio)methyl]furan-2-carboxylic acid methyl ester Formula: C15H12N2O3S MolecularWeight: 300.33238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C15H12N2O3S/c1-19-15(18)13-11(6-7-20-13)9-21-14-12-5-3-2-4-10(12)8-16-17-14/h2-8H,9H2,1H3