3-[2-[5-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanamide

Systemtic Name: 3-[2-[5-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanamide Openeye Name: 3-[2-[5-(4-bromophenyl)thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-2-cyano-3-phenyl-propanamide CAS Name: 3-[2-[5-(4-bromophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-2-cyano-3-phenylpropanamide IUPAC Name: 3-[2-[5-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-2-cyano-3-phenylpropanamide Traditional Name: 3-[1-[5-(4-bromophenyl)thiazol-2-yl]-5-keto-3-methyl-3-pyrazolin-4-yl]-2-cyano-3-phenyl-propionamide Formula: C23H18BrN5O2S MolecularWeight: 508.39032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C(C#N)C(=O)N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C(C#N)C(=O)N

InChI

InChI=1S/C23H18BrN5O2S/c1-13-19(20(17(11-25)21(26)30)15-5-3-2-4-6-15)22(31)29(28-13)23-27-12-18(32-23)14-7-9-16(24)10-8-14/h2-10,12,17,20,28H,1H3,(H2,26,30)