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

Systemtic Name: 4,5-bis(bromanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide Formula: C18H12Br2N4OS MolecularWeight: 492.18708

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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=NNC(=C4Br)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NNC(=C4Br)Br

InChI

InChI=1S/C18H12Br2N4OS/c1-9-2-7-12-13(8-9)26-18(22-12)10-3-5-11(6-4-10)21-17(25)15-14(19)16(20)24-23-15/h2-8H,1H3,(H,21,25)(H,23,24)