methyl 2-[N-[4-chloranyl-2-(trifluoromethyl)phenyl]-C-imidazol-1-yl-carbonimidoyl]sulfanylpropanoate

Systemtic Name: methyl 2-[N-[4-chloranyl-2-(trifluoromethyl)phenyl]-C-imidazol-1-yl-carbonimidoyl]sulfanylpropanoate Openeye Name: methyl 2-[N-[4-chloro-2-(trifluoromethyl)phenyl]-C-imidazol-1-yl-carbonimidoyl]sulfanylpropanoate CAS Name: 2-[[[4-chloro-2-(trifluoromethyl)phenyl]imino-(1-imidazolyl)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[N-[4-chloro-2-(trifluoromethyl)phenyl]-C-imidazol-1-ylcarbonimidoyl]sulfanylpropanoate Traditional Name: 2-[[N-[4-chloro-2-(trifluoromethyl)phenyl]-C-imidazol-1-yl-carbonimidoyl]thio]propionic acid methyl ester Formula: C15H13ClF3N3O2S MolecularWeight: 391.79583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2

Isomeric SMILES

CC(C(=O)OC)SC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2

InChI

InChI=1S/C15H13ClF3N3O2S/c1-9(13(23)24-2)25-14(22-6-5-20-8-22)21-12-4-3-10(16)7-11(12)15(17,18)19/h3-9H,1-2H3