1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-N-methoxy-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-imine

Systemtic Name: 1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-N-methoxy-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-imine Openeye Name: 1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-N-methoxy-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-imine CAS Name: 1-[1-(2-chlorophenyl)sulfonyl-3-pyrazolyl]-N-methoxy-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-imine IUPAC Name: 1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-N-methoxy-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-imine Traditional Name: (E)-[1-[1-(2-chlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-ylidene]-methoxy-amine Formula: C21H22ClN3O3S3 MolecularWeight: 496.06568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=NOC)C1)SC)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4Cl)C

Isomeric SMILES

CC1(CC2=C(SC(=C2/C(=N/OC)/C1)SC)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C21H22ClN3O3S3/c1-21(2)11-13-18(16(12-21)24-28-3)20(29-4)30-19(13)15-9-10-25(23-15)31(26,27)17-8-6-5-7-14(17)22/h5-10H,11-12H2,1-4H3/b24-16+