2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4-ethylsulfonyl-phenol

Systemtic Name: 2-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4-ethylsulfonyl-phenol Openeye Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-ethylsulfonyl-phenol CAS Name: 2-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-4-ethylsulfonylphenol IUPAC Name: 2-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-ethylsulfonylphenol Traditional Name: 2-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4-esyl-phenol Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)N=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)N=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4S/c1-2-34(31,32)21-12-13-23(30)22(15-21)27-16-19-17-29(20-9-4-3-5-10-20)28-26(19)25-14-18-8-6-7-11-24(18)33-25/h3-17,30H,2H2,1H3