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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C22H21BrN4OS MolecularWeight: 469.39734

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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)C(C)N4C(=C(C(=N4)C)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)N4C(=C(C(=N4)C)Br)C

InChI

InChI=1S/C22H21BrN4OS/c1-12-5-10-18-19(11-12)29-22(25-18)16-6-8-17(9-7-16)24-21(28)15(4)27-14(3)20(23)13(2)26-27/h5-11,15H,1-4H3,(H,24,28)