4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-methyl-1-phthalazinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-methylphthalazin-1-yl)thio]methyl]benzoic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC3=CC=C(C=C3)C(=O)O

InChI

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