N-[4-[2-(cyanomethyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-7-yl]phenyl]-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: N-[4-[2-(cyanomethyl)-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-7-yl]phenyl]-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: N-[4-[2-(cyanomethyl)-1,1-dioxo-3H-1,2-benzothiazol-7-yl]phenyl]-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-[4-[2-(cyanomethyl)-1,1-dioxo-3H-1,2-benzothiazol-7-yl]phenyl]-2-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: N-[4-[2-(cyanomethyl)-1,1-dioxo-3H-1,2-benzothiazol-7-yl]phenyl]-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: N-[4-[2-(cyanomethyl)-1,1-diketo-3H-1,2-benzothiazol-7-yl]phenyl]-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C27H20F3N5O4S MolecularWeight: 567.53901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C4=C5C(=CC=C4)CN(S5(=O)=O)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C4=C5C(=CC=C4)CN(S5(=O)=O)CC#N

InChI

InChI=1S/C27H20F3N5O4S/c1-39-21-11-9-20(10-12-21)35-23(15-24(33-35)27(28,29)30)26(36)32-19-7-5-17(6-8-19)22-4-2-3-18-16-34(14-13-31)40(37,38)25(18)22/h2-12,15H,14,16H2,1H3,(H,32,36)