(4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-methoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C19H14BrN3O2S MolecularWeight: 428.30236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14BrN3O2S/c1-11-13(9-12-7-8-16(25-2)14(20)10-12)18(24)23(22-11)19-21-15-5-3-4-6-17(15)26-19/h3-10H,1-2H3/b13-9+