1-[4-[2-[2-azanylidene-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethylsulfinyl]phenyl]butan-1-one

Systemtic Name: 1-[4-[2-[2-azanylidene-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethylsulfinyl]phenyl]butan-1-one Openeye Name: 1-[4-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethylsulfinyl]phenyl]butan-1-one CAS Name: 1-[4-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethylsulfinyl]phenyl]-1-butanone IUPAC Name: 1-[4-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethylsulfinyl]phenyl]butan-1-one Traditional Name: 1-[4-[2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethylsulfinyl]phenyl]butan-1-one Formula: C20H19F3N2O3S2 MolecularWeight: 456.50167

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)S(=O)CCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)S(=O)CCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N

InChI

InChI=1S/C20H19F3N2O3S2/c1-2-3-17(26)13-4-7-15(8-5-13)30(27)11-10-25-16-9-6-14(28-20(21,22)23)12-18(16)29-19(25)24/h4-9,12,24H,2-3,10-11H2,1H3