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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C29H24N4OS MolecularWeight: 476.59206

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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)OC(C)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)OC(C)C

InChI

InChI=1S/C29H24N4OS/c1-19(2)34-26-14-13-21(15-20(26)3)28-23(18-33(32-28)24-9-5-4-6-10-24)16-22(17-30)29-31-25-11-7-8-12-27(25)35-29/h4-16,18-19H,1-3H3/b22-16+