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

Systemtic Name: (6E)-4-chloranyl-6-[6-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-chloro-6-[6-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-chloro-6-[6-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-chloro-6-[6-(2-methyl-4-nitro-5-propylpyrazol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-chloro-6-[6-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H16ClN5O3S MolecularWeight: 405.85864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C2=CC(=C3C=C(C=CC3=O)Cl)NC(=S)N2)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C2=C/C(=C\3/C=C(C=CC3=O)Cl)/NC(=S)N2)C

InChI

InChI=1S/C17H16ClN5O3S/c1-3-4-11-16(23(25)26)15(22(2)21-11)13-8-12(19-17(27)20-13)10-7-9(18)5-6-14(10)24/h5-8H,3-4H2,1-2H3,(H2,19,20,27)/b12-10+