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

Systemtic Name: 5-methyl-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]-5-methyl-1,3-benzothiazole CAS Name: 5-methyl-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]-5-methyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-5-methyl-1,3-benzothiazole Formula: C25H20N4S MolecularWeight: 408.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4S/c1-18-9-11-23-22(14-18)27-24(30-23)12-10-21-17-29(16-19-6-3-2-4-7-19)28-25(21)20-8-5-13-26-15-20/h2-15,17H,16H2,1H3/b12-10+