methyl 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-phenyl-1-phthalazinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-phenylphthalazin-1-yl)thio]methyl]benzoic acid methyl ester Formula: C23H18N2O2S MolecularWeight: 386.46622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O2S/c1-27-23(26)18-11-7-8-16(14-18)15-28-22-20-13-6-5-12-19(20)21(24-25-22)17-9-3-2-4-10-17/h2-14H,15H2,1H3