5-methyl-2-(3-methylsulfanylnaphthalen-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-2-(3-methylsulfanylnaphthalen-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-methyl-2-(3-methylsulfanyl-2-naphthyl)pyrazole-3-carboxylic acid CAS Name: 5-methyl-2-[3-(methylthio)-2-naphthalenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-2-(3-methylsulfanylnaphthalen-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-methyl-2-[3-(methylthio)-2-naphthyl]pyrazole-3-carboxylic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)C2=CC3=CC=CC=C3C=C2SC

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)C2=CC3=CC=CC=C3C=C2SC

InChI

InChI=1S/C16H14N2O2S/c1-10-7-14(16(19)20)18(17-10)13-8-11-5-3-4-6-12(11)9-15(13)21-2/h3-9H,1-2H3,(H,19,20)