2-(3,4-diphenylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3,4-diphenylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3,4-diphenylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3,4-diphenyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(3,4-diphenylpyrazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(3,4-diphenylpyrazol-1-yl)ethyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-19-12-14-22(15-13-19)30(27,28)29-17-16-26-18-23(20-8-4-2-5-9-20)24(25-26)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3