3-[4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)/C=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H18N4OS/c1-27-18-9-10-19-20(14-18)28-21(24-19)11-8-17-15-26(13-5-12-23)25-22(17)16-6-3-2-4-7-16/h2-4,6-11,14-15H,5,13H2,1H3/b11-8+