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

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-3-[3-(4-allyloxy-3-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)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C29H22N4OS/c1-3-15-34-26-14-13-21(16-20(26)2)28-23(19-33(32-28)24-9-5-4-6-10-24)17-22(18-30)29-31-25-11-7-8-12-27(25)35-29/h3-14,16-17,19H,1,15H2,2H3/b22-17-