2-[(5-bromanyl-2-phenyl-pyrazol-3-yl)oxymethyl]-6-methoxy-1,1-bis(oxidanylidene)-4-propan-2-yl-1,2-benzothiazol-3-one

Systemtic Name: 2-[(5-bromanyl-2-phenyl-pyrazol-3-yl)oxymethyl]-6-methoxy-1,1-bis(oxidanylidene)-4-propan-2-yl-1,2-benzothiazol-3-one Openeye Name: 2-[(5-bromo-2-phenyl-pyrazol-3-yl)oxymethyl]-4-isopropyl-6-methoxy-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(5-bromo-2-phenyl-3-pyrazolyl)oxymethyl]-6-methoxy-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one IUPAC Name: 2-[(5-bromo-2-phenylpyrazol-3-yl)oxymethyl]-6-methoxy-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one Traditional Name: 2-[(5-bromo-2-phenyl-pyrazol-3-yl)oxymethyl]-4-isopropyl-1,1-diketo-6-methoxy-1,2-benzothiazol-3-one Formula: C21H20BrN3O5S MolecularWeight: 506.3696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC(=NN3C4=CC=CC=C4)Br)OC

Isomeric SMILES

CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC(=NN3C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C21H20BrN3O5S/c1-13(2)16-9-15(29-3)10-17-20(16)21(26)24(31(17,27)28)12-30-19-11-18(22)23-25(19)14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3