(4E)-2-(4-bromophenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-methyl-2-thienyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-methyl-2-thiophenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-methylthiophen-2-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-5-methyl-4-[(5-methyl-2-thienyl)methylene]-2-pyrazolin-3-one Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(S1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C16H13BrN2OS/c1-10-3-8-14(21-10)9-15-11(2)18-19(16(15)20)13-6-4-12(17)5-7-13/h3-9H,1-2H3/b15-9+