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

Systemtic Name: 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-5-esyl-1,3-benzoxazole Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-3-29(26,27)16-9-11-19-18(13-16)23-20(28-19)12-10-17-14(2)24-25(21(17)22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b12-10+