(Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-(1-phenyl-3-p-phenetyl-pyrazol-4-yl)acrylonitrile Formula: C27H20N4OS MolecularWeight: 448.5389

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N4OS/c1-2-32-23-14-12-19(13-15-23)26-21(18-31(30-26)22-8-4-3-5-9-22)16-20(17-28)27-29-24-10-6-7-11-25(24)33-27/h3-16,18H,2H2,1H3/b20-16-