(6E)-2,4-dimethyl-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)-2,4-dimethyl-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)-2,4-dimethyl-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)-2,4-dimethyl-6-[6-(2-methyl-4-nitro-5-propyl-3-pyrazolyl)-2-sulfanylidene-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2,4-dimethyl-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)-2,4-dimethyl-6-[6-(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)-2-thioxo-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C2=CC(=C3C=C(C=C(C3=O)C)C)NC(=S)N2)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C2=C/C(=C\3/C=C(C=C(C3=O)C)C)/NC(=S)N2)C

InChI

InChI=1S/C19H21N5O3S/c1-5-6-13-17(24(26)27)16(23(4)22-13)15-9-14(20-19(28)21-15)12-8-10(2)7-11(3)18(12)25/h7-9H,5-6H2,1-4H3,(H2,20,21,28)/b14-12+