(6E)-4-bromanyl-6-[6-(2-methyl-5-propyl-pyrazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-bromanyl-6-[6-(2-methyl-5-propyl-pyrazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-bromo-6-[6-(2-methyl-5-propyl-pyrazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-bromo-6-[6-(2-methyl-5-propyl-3-pyrazolyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-bromo-6-[6-(2-methyl-5-propylpyrazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-bromo-6-[6-(2-methyl-5-propyl-pyrazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C2=CC(=C3C=C(C=CC3=O)Br)NC(=S)N2)C

Isomeric SMILES

CCCC1=NN(C(=C1)C2=C/C(=C\3/C=C(C=CC3=O)Br)/NC(=S)N2)C

InChI

InChI=1S/C17H17BrN4OS/c1-3-4-11-8-15(22(2)21-11)14-9-13(19-17(24)20-14)12-7-10(18)5-6-16(12)23/h5-9H,3-4H2,1-2H3,(H2,19,20,24)/b13-12+