methyl 2-methyl-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(4-phenyl-1-phthalazinyl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(4-phenylphthalazin-1-yl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H18N2O3S/c1-14-19(22(25)26-2)12-16(27-14)13-28-21-18-11-7-6-10-17(18)20(23-24-21)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3