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

Systemtic Name: 4-[[3-cyclooctyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-cyclooctyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-cyclooctyl-4-(4-nitrophenyl)-2-thiazolylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-cyclooctyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-cyclooctyl-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H31N5O3S MolecularWeight: 517.64244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C5CCCCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C5CCCCCCC5

InChI

InChI=1S/C28H31N5O3S/c1-20-26(27(34)32(30(20)2)23-13-9-6-10-14-23)29-28-31(22-11-7-4-3-5-8-12-22)25(19-37-28)21-15-17-24(18-16-21)33(35)36/h6,9-10,13-19,22H,3-5,7-8,11-12H2,1-2H3