5-chloranyl-2-[(E)-2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-[(E)-2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]-1,3-benzoxazole Openeye Name: 5-chloro-2-[(E)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-1,3-benzoxazole CAS Name: 5-chloro-2-[(E)-2-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)ethenyl]-1,3-benzoxazole IUPAC Name: 5-chloro-2-[(E)-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzoxazole Traditional Name: 5-chloro-2-[(E)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-1,3-benzoxazole Formula: C22H14ClN3OS MolecularWeight: 403.88406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C22H14ClN3OS/c23-16-9-10-19-18(13-16)24-21(27-19)11-8-15-14-26(17-5-2-1-3-6-17)25-22(15)20-7-4-12-28-20/h1-14H/b11-8+