N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-bromophenyl)-N-methyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-bromophenyl)-N-methyl-1H-pyrazole-5-carboxamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-bromophenyl)-N-methyl-1H-pyrazole-5-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-bromophenyl)-N-methyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-bromophenyl)-N-methyl-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(4-bromophenyl)-N-methyl-1H-pyrazole-5-carboxamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br

InChI

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