methyl 4-(phthalazin-1-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(phthalazin-1-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(phthalazin-1-ylsulfanylmethyl)benzoate CAS Name: 4-[(1-phthalazinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(phthalazin-1-ylsulfanylmethyl)benzoate Traditional Name: 4-[(phthalazin-1-ylthio)methyl]benzoic acid methyl ester Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O2S/c1-21-17(20)13-8-6-12(7-9-13)11-22-16-15-5-3-2-4-14(15)10-18-19-16/h2-10H,11H2,1H3