3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenyl-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-3-keto-3-phenyl-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C28H20N4OS MolecularWeight: 460.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20N4OS/c29-16-9-17-32-19-22(26(31-32)20-10-3-1-4-11-20)18-23(27(33)21-12-5-2-6-13-21)28-30-24-14-7-8-15-25(24)34-28/h1-8,10-15,18-19H,9,17H2/b23-18-