2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[2-(2-furylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-[2-(2-furanylmethylthio)ethyl]-1,3-thiazinan-4-one IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-[2-(2-furfurylthio)ethyl]-1,3-thiazinan-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3N(C(=O)CCS3)CCSCC4=CC=CO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3N(C(=O)CCS3)CCSCC4=CC=CO4

InChI

InChI=1S/C22H25N3O2S2/c1-16-21(17(2)25(23-16)18-7-4-3-5-8-18)22-24(20(26)10-13-29-22)11-14-28-15-19-9-6-12-27-19/h3-9,12,22H,10-11,13-15H2,1-2H3