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

Systemtic Name: 4-[[4-(3-bromophenyl)-3-phenethyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(3-bromophenyl)-3-phenethyl-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(3-bromophenyl)-3-phenethyl-2-thiazolylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(3-bromophenyl)-3-phenethyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-(3-bromophenyl)-3-phenethyl-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H25BrN4OS MolecularWeight: 545.4933

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)Br)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)CCC5=CC=CC=C5

InChI

InChI=1S/C28H25BrN4OS/c1-20-26(27(34)33(31(20)2)24-14-7-4-8-15-24)30-28-32(17-16-21-10-5-3-6-11-21)25(19-35-28)22-12-9-13-23(29)18-22/h3-15,18-19H,16-17H2,1-2H3