[2-(4-chloranyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-methylcarbamodithioate

Systemtic Name: [2-(4-chloranyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-methylcarbamodithioate Openeye Name: [2-(4-chloro-2-fluoro-phenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-methylcarbamodithioate CAS Name: N-methylcarbamodithioic acid [2-(4-chloro-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester IUPAC Name: [2-(4-chloro-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-methylcarbamodithioate Traditional Name: N-methylcarbamodithioic acid [2-(4-chloro-2-fluoro-phenyl)-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester Formula: C16H16ClFN2OS2 MolecularWeight: 370.892443

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)SC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CNC(=S)SC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C16H16ClFN2OS2/c1-19-16(22)23-15-11-5-3-2-4-10(11)14(21)20(15)13-7-6-9(17)8-12(13)18/h6-8,15H,2-5H2,1H3,(H,19,22)