2-(4-methylphthalazin-1-yl)sulfanylbenzoic acid

Systemtic Name: 2-(4-methylphthalazin-1-yl)sulfanylbenzoic acid Openeye Name: 2-(4-methylphthalazin-1-yl)sulfanylbenzoic acid CAS Name: 2-[(4-methyl-1-phthalazinyl)thio]benzoic acid IUPAC Name: 2-(4-methylphthalazin-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(4-methylphthalazin-1-yl)thio]benzoic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12N2O2S/c1-10-11-6-2-3-7-12(11)15(18-17-10)21-14-9-5-4-8-13(14)16(19)20/h2-9H,1H3,(H,19,20)