methyl 2-(4-methanoyl-2,5-dimethyl-pyrazol-3-yl)sulfanylbenzoate

Systemtic Name: methyl 2-(4-methanoyl-2,5-dimethyl-pyrazol-3-yl)sulfanylbenzoate Openeye Name: methyl 2-(4-formyl-2,5-dimethyl-pyrazol-3-yl)sulfanylbenzoate CAS Name: 2-[(4-formyl-2,5-dimethyl-3-pyrazolyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(4-formyl-2,5-dimethylpyrazol-3-yl)sulfanylbenzoate Traditional Name: 2-[(4-formyl-2,5-dimethyl-pyrazol-3-yl)thio]benzoic acid methyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1C=O)SC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C14H14N2O3S/c1-9-11(8-17)13(16(2)15-9)20-12-7-5-4-6-10(12)14(18)19-3/h4-8H,1-3H3