1-pentyl-3,4,5-triphenyl-pyrazole; 2-sulfinylethanoate

Systemtic Name: 1-pentyl-3,4,5-triphenyl-pyrazole; 2-sulfinylethanoate Openeye Name: 1-pentyl-3,4,5-triphenyl-pyrazole; 2-sulfinylacetate CAS Name: 1-pentyl-3,4,5-triphenylpyrazole; 2-sulfinylacetate IUPAC Name: 1-pentyl-3,4,5-triphenylpyrazole; 2-sulfinylacetate Traditional Name: 1-amyl-3,4,5-triphenyl-pyrazole; 2-sulfinylacetate Formula: C28H27N2O3S- MolecularWeight: 471.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(=S=O)C(=O)[O-]

Isomeric SMILES

CCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(=S=O)C(=O)[O-]

InChI

InChI=1S/C26H26N2.C2H2O3S/c1-2-3-13-20-28-26(23-18-11-6-12-19-23)24(21-14-7-4-8-15-21)25(27-28)22-16-9-5-10-17-22;3-2(4)1-6-5/h4-12,14-19H,2-3,13,20H2,1H3;1H,(H,3,4)/p-1