(4E)-4-[(5-bromanylthiophen-2-yl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(5-bromanylthiophen-2-yl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(5-bromo-2-thienyl)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(5-bromo-2-thiophenyl)methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(5-bromothiophen-2-yl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-[(5-bromo-2-thienyl)methylene]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)Br)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(S3)Br)/C(=N2)C

InChI

InChI=1S/C16H13BrN2OS/c1-10-3-5-12(6-4-10)19-16(20)14(11(2)18-19)9-13-7-8-15(17)21-13/h3-9H,1-2H3/b14-9+