5-bromanyl-N-[(E)-[3-methyl-5-(4-methylphenyl)sulfanyl-1-phenyl-pyrazol-4-yl]methylideneamino]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[(E)-[3-methyl-5-(4-methylphenyl)sulfanyl-1-phenyl-pyrazol-4-yl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[(E)-[3-methyl-1-phenyl-5-(p-tolylsulfanyl)pyrazol-4-yl]methyleneamino]benzamide CAS Name: 5-bromo-2-hydroxy-N-[(E)-[3-methyl-5-[(4-methylphenyl)thio]-1-phenyl-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[(E)-[3-methyl-5-(4-methylphenyl)sulfanyl-1-phenylpyrazol-4-yl]methylideneamino]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[(E)-[3-methyl-1-phenyl-5-(p-tolylthio)pyrazol-4-yl]methyleneamino]benzamide Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NN2C3=CC=CC=C3)C)C=NNC(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NN2C3=CC=CC=C3)C)/C=N/NC(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C25H21BrN4O2S/c1-16-8-11-20(12-9-16)33-25-22(17(2)29-30(25)19-6-4-3-5-7-19)15-27-28-24(32)21-14-18(26)10-13-23(21)31/h3-15,31H,1-2H3,(H,28,32)/b27-15+