propan-2-yl 1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: propan-2-yl 1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: isopropyl 5-benzylsulfanyl-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 1,3-dimethyl-5-(phenylmethylthio)-4-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-benzylsulfanyl-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(benzylthio)-1,3-dimethyl-pyrazole-4-carboxylic acid isopropyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C)SCC2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2O2S/c1-11(2)20-16(19)14-12(3)17-18(4)15(14)21-10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3