(4Z)-4-[[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-4-[[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[[5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[[5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H21N5OS2 MolecularWeight: 507.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(N(N=C2C)C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=C(N(N=C2C)C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C28H21N5OS2/c1-18-22(26(34)32(30-18)20-11-5-3-6-12-20)17-23-19(2)31-33(21-13-7-4-8-14-21)27(23)36-28-29-24-15-9-10-16-25(24)35-28/h3-17H,1-2H3/b22-17-