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

Systemtic Name: 4-[2-[(4-bromophenyl)amino]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2-(4-bromoanilino)thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2-(4-bromoanilino)-4-thiazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2-(4-bromoanilino)thiazol-4-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=CSC(=N3)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN4OS/c1-13-18(19(26)25(24(13)2)16-6-4-3-5-7-16)17-12-27-20(23-17)22-15-10-8-14(21)9-11-15/h3-12H,1-2H3,(H,22,23)