methyl 5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-phenyl-1-phthalazinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-phenylphthalazin-1-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c1-25-21(24)18-12-11-15(26-18)13-27-20-17-10-6-5-9-16(17)19(22-23-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3