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

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

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(=CC=C4)[N+](=O)[O-])C5CCCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C5CCCCCC5

InChI

InChI=1S/C27H29N5O3S/c1-19-25(26(33)31(29(19)2)22-14-8-5-9-15-22)28-27-30(21-12-6-3-4-7-13-21)24(18-36-27)20-11-10-16-23(17-20)32(34)35/h5,8-11,14-18,21H,3-4,6-7,12-13H2,1-2H3