5-methoxy-1-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enoxy]indazole-4-sulfinate

Systemtic Name: 5-methoxy-1-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enoxy]indazole-4-sulfinate Openeye Name: 3-[(E)-cinnamyl]oxy-5-methoxy-1-(p-tolyl)indazole-4-sulfinate CAS Name: 5-methoxy-1-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enoxy]-4-indazolesulfinate IUPAC Name: 5-methoxy-1-(4-methylphenyl)-3-[(E)-3-phenylprop-2-enoxy]indazole-4-sulfinate Traditional Name: 3-[(E)-cinnamyl]oxy-5-methoxy-1-(p-tolyl)indazole-4-sulfinate Formula: C24H21N2O4S- MolecularWeight: 433.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)[O-])C(=N2)OCC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)[O-])C(=N2)OC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4S/c1-17-10-12-19(13-11-17)26-20-14-15-21(29-2)23(31(27)28)22(20)24(25-26)30-16-6-9-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,27,28)/p-1/b9-6+