2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=C(C(=N4)C)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=C(C(=N4)C)Br)C

InChI

InChI=1S/C21H19BrN4OS/c1-12-4-9-17-18(10-12)28-21(24-17)15-5-7-16(8-6-15)23-19(27)11-26-14(3)20(22)13(2)25-26/h4-10H,11H2,1-3H3,(H,23,27)