3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-1-phenyl-3-pyrazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-1-phenylpyrazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-1-phenyl-pyrazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C29H25N5O2S2 MolecularWeight: 539.6711

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C29H25N5O2S2/c1-3-33(4-2)38(35,36)25-14-10-11-21(18-25)28-23(20-34(32-28)24-12-6-5-7-13-24)17-22(19-30)29-31-26-15-8-9-16-27(26)37-29/h5-18,20H,3-4H2,1-2H3/b22-17+