methyl 2-[4-[[4-[2,6-bis(fluoranyl)phenyl]-5-methyl-1,3-dithiol-2-ylidene]amino]-2,5-dimethyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-[[4-[2,6-bis(fluoranyl)phenyl]-5-methyl-1,3-dithiol-2-ylidene]amino]-2,5-dimethyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[4-[[4-(2,6-difluorophenyl)-5-methyl-1,3-dithiol-2-ylidene]amino]-2,5-dimethyl-pyrazol-3-yl]acetate CAS Name: 2-[4-[[4-(2,6-difluorophenyl)-5-methyl-1,3-dithiol-2-ylidene]amino]-2,5-dimethyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(2,6-difluorophenyl)-5-methyl-1,3-dithiol-2-ylidene]amino]-2,5-dimethylpyrazol-3-yl]acetate Traditional Name: 2-[4-[[4-(2,6-difluorophenyl)-5-methyl-1,3-dithiol-2-ylidene]amino]-2,5-dimethyl-pyrazol-3-yl]acetic acid methyl ester Formula: C18H17F2N3O2S2 MolecularWeight: 409.473286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC2=C(N(N=C2C)C)CC(=O)OC)S1)C3=C(C=CC=C3F)F

Isomeric SMILES

CC1=C(SC(=NC2=C(N(N=C2C)C)CC(=O)OC)S1)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H17F2N3O2S2/c1-9-16(13(23(3)22-9)8-14(24)25-4)21-18-26-10(2)17(27-18)15-11(19)6-5-7-12(15)20/h5-7H,8H2,1-4H3