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

Systemtic Name: 1,5-dimethyl-4-[[3-(2-methylcyclohexyl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[3-(2-methylcyclohexyl)-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-(2-methylcyclohexyl)-4-(4-nitrophenyl)-2-thiazolylidene]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-(2-methylcyclohexyl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[3-(2-methylcyclohexyl)-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]amino]-2-phenyl-3-pyrazolin-3-one Formula: C27H29N5O3S MolecularWeight: 503.61586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=CSC2=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1N2C(=CSC2=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O3S/c1-18-9-7-8-12-23(18)30-24(20-13-15-22(16-14-20)32(34)35)17-36-27(30)28-25-19(2)29(3)31(26(25)33)21-10-5-4-6-11-21/h4-6,10-11,13-18,23H,7-9,12H2,1-3H3