methyl 4-[[4-(4-methylphenyl)phthalazin-1-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methylphenyl)phthalazin-1-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(p-tolyl)phthalazin-1-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-methylphenyl)-1-phthalazinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylphenyl)phthalazin-1-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(p-tolyl)phthalazin-1-yl]thio]methyl]benzoic acid methyl ester Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H20N2O2S/c1-16-7-11-18(12-8-16)22-20-5-3-4-6-21(20)23(26-25-22)29-15-17-9-13-19(14-10-17)24(27)28-2/h3-14H,15H2,1-2H3