4-bromanyl-6-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylidene]-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C20H20BrN3O2S MolecularWeight: 446.3607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC=CC=C2SC3=C(NN=C3C)C)C1=O)Br

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC=CC=C2SC3=C(NN=C3C)C)C1=O)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-4-26-17-10-15(21)9-14(19(17)25)11-22-16-7-5-6-8-18(16)27-20-12(2)23-24-13(20)3/h5-11,22H,4H2,1-3H3,(H,23,24)