2-[(E)-2-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-1,3-benzothiazole Formula: C24H18N4S MolecularWeight: 394.49152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N4S/c1-2-7-18(8-3-1)16-28-17-20(24(27-28)19-9-6-14-25-15-19)12-13-23-26-21-10-4-5-11-22(21)29-23/h1-15,17H,16H2/b13-12+