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

Systemtic Name: 4-bromanyl-2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide CAS Name: 4-bromo-2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-2,5-dimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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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)C4=C(C(=NN4C)C)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C(=NN4C)C)Br

InChI

InChI=1S/C20H17BrN4OS/c1-11-4-9-15-16(10-11)27-20(23-15)13-5-7-14(8-6-13)22-19(26)18-17(21)12(2)24-25(18)3/h4-10H,1-3H3,(H,22,26)