1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-thiourea

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-(1,1-dioxothiolan-3-yl)-1-methyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-3-thiolanyl)-1-methylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-(1,1-diketothiolan-3-yl)-1-methyl-thiourea Formula: C12H14ClFN2O2S2 MolecularWeight: 336.833163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H14ClFN2O2S2/c1-16(9-4-5-20(17,18)7-9)12(19)15-8-2-3-11(14)10(13)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,15,19)