2-pyrazol-1-ylethyl 4-methylbenzenesulfonate

Systemtic Name: 2-pyrazol-1-ylethyl 4-methylbenzenesulfonate Openeye Name: 2-pyrazol-1-ylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-pyrazolyl)ethyl ester IUPAC Name: 2-pyrazol-1-ylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-pyrazol-1-ylethyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=CC=N2

InChI

InChI=1S/C12H14N2O3S/c1-11-3-5-12(6-4-11)18(15,16)17-10-9-14-8-2-7-13-14/h2-8H,9-10H2,1H3