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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C31H28N4OS MolecularWeight: 504.64522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4OS/c1-2-3-4-10-19-36-27-17-15-23(16-18-27)30-25(22-35(34-30)26-11-6-5-7-12-26)20-24(21-32)31-33-28-13-8-9-14-29(28)37-31/h5-9,11-18,20,22H,2-4,10,19H2,1H3/b24-20+