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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-3-[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1,3-benzothiazol-2-yl)acrylonitrile Formula: C29H22N4OS MolecularWeight: 474.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4OS/c1-3-15-34-24-13-14-25(20(2)16-24)28-22(19-33(32-28)23-9-5-4-6-10-23)17-21(18-30)29-31-26-11-7-8-12-27(26)35-29/h3-14,16-17,19H,1,15H2,2H3/b21-17+