(4-cyanophenyl)methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetate Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid (4-cyanobenzyl) ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=NN1)C)SCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H15N3O2S/c1-10-15(11(2)18-17-10)21-9-14(19)20-8-13-5-3-12(7-16)4-6-13/h3-6H,8-9H2,1-2H3,(H,17,18)