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

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C28H22N4OS MolecularWeight: 462.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C

InChI

InChI=1S/C28H22N4OS/c1-3-33-25-14-13-20(15-19(25)2)27-22(18-32(31-27)23-9-5-4-6-10-23)16-21(17-29)28-30-24-11-7-8-12-26(24)34-28/h4-16,18H,3H2,1-2H3/b21-16-