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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4OS/c1-19(2)33-24-14-12-20(13-15-24)27-22(18-32(31-27)23-8-4-3-5-9-23)16-21(17-29)28-30-25-10-6-7-11-26(25)34-28/h3-16,18-19H,1-2H3/b21-16+