4-[[3-(2-ethylhexyl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3-(2-ethylhexyl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(2-ethylhexyl)-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-(2-ethylhexyl)-4-(4-nitrophenyl)-2-thiazolylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(2-ethylhexyl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(2-ethylhexyl)-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)CN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H33N5O3S/c1-5-7-11-21(6-2)18-31-25(22-14-16-24(17-15-22)33(35)36)19-37-28(31)29-26-20(3)30(4)32(27(26)34)23-12-9-8-10-13-23/h8-10,12-17,19,21H,5-7,11,18H2,1-4H3