methyl 8-chloranyl-3-(4-methylphenyl)-5,5-bis(oxidanylidene)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylate

Systemtic Name: methyl 8-chloranyl-3-(4-methylphenyl)-5,5-bis(oxidanylidene)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylate Openeye Name: methyl 8-chloro-5,5-dioxo-3-(p-tolyl)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylate CAS Name: 8-chloro-3-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylic acid methyl ester IUPAC Name: methyl 8-chloro-3-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylate Traditional Name: 8-chloro-5,5-diketo-3-(p-tolyl)-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylic acid methyl ester Formula: C17H12ClN3O4S2 MolecularWeight: 421.87788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C(=O)OC)Cl

InChI

InChI=1S/C17H12ClN3O4S2/c1-9-3-5-10(6-4-9)15-19-20-17-21(15)27(23,24)14-7-11(16(22)25-2)12(18)8-13(14)26-17/h3-8H,1-2H3