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

Systemtic Name: 4-bromanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide Formula: C18H13BrN4OS MolecularWeight: 413.29102

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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=NN4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=NN4)Br

InChI

InChI=1S/C18H13BrN4OS/c1-10-2-7-14-15(8-10)25-18(22-14)11-3-5-12(6-4-11)21-17(24)16-13(19)9-20-23-16/h2-9H,1H3,(H,20,23)(H,21,24)