2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(p-tolylsulfanylmethyl)-4-[(3-pyridylmethylamino)methylene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-methylphenyl)thio]methyl]-4-[(3-pyridinylmethylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4-[(pyridin-3-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[(p-tolylthio)methyl]-4-[(3-pyridylmethylamino)methylene]-2-pyrazolin-3-one Formula: C25H21N5OS2 MolecularWeight: 471.59714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNCC3=CN=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21N5OS2/c1-17-8-10-19(11-9-17)32-16-22-20(15-27-14-18-5-4-12-26-13-18)24(31)30(29-22)25-28-21-6-2-3-7-23(21)33-25/h2-13,15,27H,14,16H2,1H3