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

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C26H18N4S MolecularWeight: 418.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4S/c1-18-11-13-19(14-12-18)25-21(17-30(29-25)22-7-3-2-4-8-22)15-20(16-27)26-28-23-9-5-6-10-24(23)31-26/h2-15,17H,1H3/b20-15-