(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C28H22N4OS MolecularWeight: 462.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

InChI

InChI=1S/C28H22N4OS/c1-3-33-23-13-14-24(19(2)15-23)27-21(18-32(31-27)22-9-5-4-6-10-22)16-20(17-29)28-30-25-11-7-8-12-26(25)34-28/h4-16,18H,3H2,1-2H3/b20-16+