2-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-7,7-bis(oxidanylidene)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-7,7-bis(oxidanylidene)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione Openeye Name: 2-(4-chloro-2-fluoro-5-methoxy-phenyl)-7,7-dioxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione CAS Name: 2-(4-chloro-2-fluoro-5-methoxyphenyl)-7,7-dioxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione IUPAC Name: 2-(4-chloro-2-fluoro-5-methoxyphenyl)-7,7-dioxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-dione Traditional Name: 2-(4-chloro-2-fluoro-5-methoxy-phenyl)-7,7-diketo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepine-1,3-quinone Formula: C13H13ClFN3O5S MolecularWeight: 377.775823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2C(=O)N3CCS(=O)(=O)CCN3C2=O)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N2C(=O)N3CCS(=O)(=O)CCN3C2=O)F)Cl

InChI

InChI=1S/C13H13ClFN3O5S/c1-23-11-7-10(9(15)6-8(11)14)18-12(19)16-2-4-24(21,22)5-3-17(16)13(18)20/h6-7H,2-5H2,1H3